Activity Report Department of Physics, Chemistry and Biology January – December 2015 IFM Acitvity Report

The department of Physics, Chemistry and Biology (IFM) hereby presents its 45th consecutive progress report since the start in 1970. The report contains a description of activities in research and education within the department and in collaborations and it is intended as a source of information for colleagues and other interested readers.

IFM IS ORGANIZED IN FIVE SCIENTIFIC AREAS • Applied Physics • Biology • Chemistry • Material Physics • Theory and Modelling

A large part of the research within these divisions is made possible by generous grants from funding agencies like The Swedish Research Council (VR), The Swedish Foundation for Strategic Research (SSF), The Knut and Alice Wallenberg Foundation, VINNOVA, FORMAS, and also different international and European research programs. During the year 2015, 31 doctorial and 15 licentiate theses were presented. More than 230 undergraduate courses were offered in programs for Masters of Science in Engineering, for Master of Science, for Bachelor of Science in Engineering, and for teacher training programs. I also want to take this opportunity to thank all staff, teachers, researchers and students for their dedication and hard work for the department and for the university. This report reflects their love and ambitions for the academic world. Finally, I am most grateful for the warm welcome I have received at IFM.

Ulf Karlsson Department chair

2 Index

IFM 2 Scientific Branch of Acitvity Report 2 Applied Physics 31 Organization 6 Applied Optics 35 Economy 9 Applied Sensor Science 38 New Professor 2015 10 Biomolecular and Organic Electronics 41 The Environment 11 Biosensors and Bioelectronics 43 Equal Opportunities 13 Biotechnology 50 Collaboration 14 Chemical and Optical Sensor Systems 54 Complex Materials and Devices 56 Education for Molecular Physics 58 Undergraduate Students 15 Molecular Surface Physics Physics 16 and Nano Science 61 Biology 18 Surface Physics and Chemistry 65 Chemistry 20 Physics 22 Scientific Branch of Biology 68 - Measurement Technology 22 AVIAN Behavioural Genomics and Physiology 70 International Master’s Programme 23 The Sensory and Behavioral Graduate 25 Physiology Group 73 Conservation Ecology Group 74 Education 25 Plant Evolution Group 76 Forum Scientium 26 Animal Biology Group Wetland 77 Graduate School Agora Materiae 27 Dynamics Group 79 IFM Graduate Program 28

3 Scientific Branch of Chemistry 81 Analytical Chemistry 89 Inorganic Chemistry 89 Molecular Biotechnology 91 Organic Chemistry 94 Physical Chemistry 98 Protein Chemistry 99 Scientific Branch of Material Physics 101 Functional Electronic Materials 104 NanoscaleEngineering 107 Nanostructured Materials 110 Plasma & Coatings Physics 112 Semiconductor Materials 114 Surface and Semiconductor Physics 122 Thin Film Physics 126 Scientific Branch of Theory and Modeling 130 Bioinformatics 132 Theoretical Biology 134 Theoretical Chemistry 135 Theoretical Physics 137 Scientific Branch of Research Centres 144 AFM 145 CeNano 147 FunMat 149 Linköping Linnaeus Initiative for Novel Functional Materials (LiLi-NFM) 152 Linköping Biosensors and Bioelectronics Centre (LBB) 162 SIMARC 165

4 5 Organization

Administration Head of Department Kenneth Järrendahl/Ulf Karlsson Deputy Heads Magdalena Svensson Per Jensen/Kenneth Järrendahl Financial Administrator Inger Johansson Personnel Administrator Louise Gustafsson Rydström Principal Research Engineer Henrik Jacobsson

Department Board Members Deputy Members Kenneth Järrendahl, Chairperson Jan-Jun 2015 Ulf Karlsson, Chairperson July 2015- Kenneth Järrendahl Peter Nilsson, Teacher Representative Elke Schweda Uno Wennergren, Teacher Representative Björn Wallner Karin Enander, Teacher Representative Urban Friberg Per Eklund, Teacher Representative Hans Högberg Jordi Altimiras, Teacher Representative Simona Eles, Adm/tech Representative Anna Sundin Mattias Tengelius, PhD-student Representative Jan-Oct 2015 Lina Tengdelius, Jan-Oct 2015 Linda Lantz, PhD-student Representative Nov 2015- Mattias Tengelius, Nov 2015- Martin Eriksson, PhD-student Representative Leif Johansson, Jan-Oct 2015 Katarina Bengtsson, Nov 2015- Jonas Hartmann, Student Representative Jan-Sept 2015 Johan Nilsson, Student Representative Oct 2015- Lena Martinsson, Secretary

Other Members Louise Gustafsson Rydström Inger Johansson

6 Department board Head of Department LSG, Local cooperating group

Administrative support Technical Division

Scienfific Areas Divisions Study Programmes Research Centres Applied Physics Applied Optics, Applied Sensor Science, Ph.D. studies AFM Biomolecular and Organic Electronics, Biosensors and Bioelectronics, Biotechnology, Chemical and Optical Sensor Systems, Biology Biosensors and Bioelectronics Centre Complex Materials and Devices, Molecular Physics, Molecular Surface Physics and Nanoscience, Surface Physics and Chemistry Chemistry CeNano

Biology Ecology, Molecular genetics, Zoology Physics – Engineering FunMat

Chemistry Biochemistry, Inorganic Chemistry, Physics – Natural Science LiLi – NFM Molecular Biotechnology, Organic Analytical Chemistry, Organic Chemistry, Physical Chemistry, Protein Chemistry Physics – Measurement Technology SIMARC Material Physics Functional Electronic Materials, Nanoscale Engineering, Nanostructured materials, Plasma and Coating Physics, Semiconductor Materials, Surface and Semiconductor Physics, Thin Film Physics

Theory and Modelling Bioinformatics, Theoretical Biology, Theoretical Chemistry, Theoretical Physics

Undergraduate Teaching Area Director of Studies Biology Agneta Johansson Chemistry Magdalena Svensson Physics Magnus Johansson Physics – Measurement Technology Magnus Boman Kenneth Järrendahl - Main Director of Studies

International Master’s Programme Applied Ethology and Biology Agneta Johansson Ecology and the Environment Agneta Johansson Material Physics and Nanotechnology Wei-Xin Ni Organic synthesis/medicinal chemistry Magdalena Svensson

Graduate Teaching IFM Graduate Programme Per-Olof Holtz Forum Scientium Stefan Klintström Agora Materiae Per-Olof Holtz

7 Research Divisions Scientific Branch of Applied Physics Applied Optics Kenneth Järrendahl, prof. Applied Sensor Science Anita Lloyd-Spetz, prof. Biomolecular and Organic Electronics Olle Inganäs, prof. Biosensors and Biolelectronics Anthony Turner, prof. Biotechnology Carl.Fredrik Mandenius, prof. Chemical and Optical Sensor Systems Stefan Klintström, Dr., chairperson Complex Materials and Devices Martijn Kemerink Molecular Surface Physics and Nanoscience Kajsa Uvdal, prof. Molecular Physics Thomas Ederth, assoc. prof. Surface Physics and Chemistry Mats Fahlman, prof.

Scientific Branch of Biology Ecology Per Milberg, prof. Molecular Genetics Johan Edqvist, assoc. prof. Zoology Jordi Altimiras, assoc. prof.

Scientific Branch of Chemistry Biochemistry Uno Carlsson Inorganic Chemistry Per-Olov Käll, prof. Molecular Biotechnology Bengt Harald Jonsson, prof., chairperson Organic Analytical Chemistry Elke Schweda, prof. Organic Chemistry Peter Konradsson, prof. Physical Chemistry Lars Ojamäe, prof. Protein Chemistry Per Hammaström, prof.

Scientific Branch of Material Physics Functional Electronic Materials Weimin Chen, prof. Nanoscale Engineering Kostas Sarakinos, Dr. Nanostructured Materials Magnus Odén, prof. Plasma and Coatings Physics Ulf Helmersson, prof. Semiconductor Materials Erik Janzén, prof., deputy chairperson Surface and Semiconductor Physics Roger Uhrberg, prof. Thin Film Physics Lars Hultman, prof. / Jens Birch, prof. acting head of division

Scientific Branch of Theory and Modelling Bioinformatics Björn Wallner, Dr. Theoretical Biology Uno Wennergren, prof. Theoretical Chemistry Patrick Norman, prof. Theoretical Physics Igor Abrikosov, prof., chairperson

8 Economy

Distribution of income sources, IFM 2015

Operating income (MSEK) 2015 2014 University University allocations for teaching 84 83 allocations for teaching External University allocations for research 158 170 sources of 18% income External sources of income 224 224 48% Total 466 477 34% University allocations for research

External sources of income (amounts in 2015 2014 MSEK) Swedish Research Council, VR 64 64 Other Research-funding agencies, e.g. 27 24 Vinnova, Formas 3% Research foundations, e.g. SSF 23 23 9% Other private foundations, e.g. Wallenberg 57 55 29% Funding from the European Union 26 28 13% Other sources of funding 20 18 Contract research 6 8 12% Total 223 220 25% 10%

External sources of income, IFM 2015

9 New Professor 2015

Peter Nilsson obtained his PhD in Biomolecular and Organic Electronics from Linköping University in 2005 on the topic of utilizing conjugated polymers as biosensors. After achieving a multidisciplinary post-doc scholarship from the Knut and Alice Wallenberg Foundation he joined the Department of Neuropathology at University Hospital of Zurich, Switzerland as a postdoc and began working on neurodegenerative diseases, such as prion diseases and Alzheimer´s disease. In 2008, after receiving the Ingvar Carlsson 2 (ICA2) Award from the Swedish Foundation for Strategic Research (SSF), he was recruited back to Department of Physics, Chemistry and Biology (IFM), Linköping University as a LiU Research fellow to start his own independent research group. His research focusses on the synthesis of novel molecules and materials that can be employed as multimodal tools to study disease associated molecular processes, as well as being utilized as novel diagnostics and therapeutics towards Alzheimer’s disease, cancer and bacterial infection. He is a recipient of several prestigious young investigator awards, including an ERC starting grant from the European Research Council and Future Research Leaders 4 (FFL-4) from SSF, and since June 2015 he is a full professor in Organic Chemistry at IFM. Currently, he has published over 85 peer reviewed papers and has an h-index of 28.

10 The Environment

Legislation Expanding knowledge of the environmental IFM has an injunction, according to the dimension of sustainable development Swedish Environmental Code, to submit a 1. The internal LiU environmental work will be yearly report to the local environmental agency communicated to all employees and students at describing the laboratory work at the campus, by 2015 at the latest. department. The agency makes regular The internal environmental website at IFM inspections at IFM. have been improved. The work was initiated 2014 and was finished during 2015. Environmental management system Environmental- and laboratory safety information have been introduced as a standing The Rector at LiU decided in 2006 that all item in the IFM weekly newsletter. During departments must work according to an 2015 19 of 41 newsletters contained environmental management system. Since environmental- or laboratory safety 2009 a regulation of environmental information. management for government agencies stipulates how to perform the environmental Limit the contribution to the climate work. In 2010 an environmental enquiry was performed at LiU and resulted in several changes environmental objective areas and objectives. 2. Reduce the electricity consumption at LiU by At IFM a plan for the environmental work was 5 % per employee/student by 2015 compared first established in 2004 and resulted in with 2011. measures taken towards reaching an IFM was planning to participate in the LiU environmental management system. The campaign to reduce the energy use. Since LiU environmental work has been presented in the decided not to perform the campaign IFM did local co-operation group during the year. not fulfilled this measure. Information and follow up about energy consumption have been Environmental action plan at IFM 2013-2015 given employees by published information in the IFM weekly newsletter and at the internal The environmental action plan for 2013-2015 environmental website. To reduce the energy was decided by the IFM board in June 2013. consumption at IFM replacement of armatures The IFM environmental action plan is based on in offices, corridors and common areas was the LiU environmental objectives and consists initiated by Akademiska hus during 2015 and of environmental objectives and measures the replacement will be finished during 2016. needed to be taken within IFM. The objectives are organised according to environmental 3. Energy consumption of computers and objective areas. The environmental action is servers at LiU will be measured and reduced, followed up annually and was revised in August following a realistically set target, during the 2014 and in June 2015. period 2013-2015.

11 IFM participated in the LiU inventory of the the campaign IFM did not fulfilled this number of computers, servers and screens measure. Information about paper consumption during 2013. At IFM there were 2189 have been published in the IFM weekly computers and 1351 screens available in 2013. newsletter and at the internal environmental The number of servers was not reported. website.

4. The proportion of air travel consisting of 7. Reduce the amount of waste that is journeys shorter than 500 km will be reduced, incinerated from LiU’s facilities by 10 % and in relation to long distance air travel, the CO2 between 2013 and 2015. emissions will be less than 2 % of the total CO2 The information about the waste recycling emissions from air travel by 2015 at the latest. system available on the IFM intranet have been During 2015 IFM purchased webcam and improved and employees have been given the headsets to provide alternatives of travel-free information in the IFM weekly newsletter and meetings. Employees have been informed about in updated notices at site for waste recycling in travel-free meeting alternatives available at IFM kitchens and common areas. and LiU, environmental friendly travelling and the LiU travel handbook. During 2013, IFM, Minimizing the spread of harmful and together with two other Departments at LiU, infectious substances from the facilities received funding from the University climate 8. Harmful substances in IT equipment at LiU compensation fund for a project with the will be phased out continuously. purpose to compensate for increased costs when An inventory of number of computers, traveling by other transportation means than by tablets, screens and smartphones at IFM was air. During 2015 one application for made 2013. For information see objective three compensation was submitted and granted. above. At IFM there were 33 tablets available in 2013. Number of smartphones could not be 5. The use of private cars for business purposes obtained. will be reduced and the use of LiU-Service cars will increase. The use of private cars for business 9. Replace or reduce the use of substances purposes will be maximum 20 % of the total use harmful to health or to the environment in of cars for business travel by 2015 at the latest. laboratory environments, where possible, by During 2015 information have been given substitutions and changes to methods during employees in the IFM weekly newsletter. the period 2013-2015. Information about rental cars and bicycles from A survey of use, amount and possible LiU-Service and the possibility to travel by the substitution of the harmful chemicals and Campus bus have been given to all new dissolving agents trichloroethylene and employees at the introduction day. dichloromethane was made during 2015. The result was reported to the local environmental Streamlining the use of natural resources agency. Substitution survey for 2015 have been 6. Reduce the consumption of copying/printer sent to divisions and the results will be paper by 10 % per employee/student by 2015 published in a report during 2016. The work compared with 2011. with follow up of the substitution survey from IFM was planning to participate in the LiU 2012 was initiated during 2014 but due to a campaign for employees to reduce paper delay and the upcoming substitution survey for consumption. Since LiU decided not to perform 2015 the follow up was called off.

12 Equal Opportunities

At IFM there is an ambition to integrate the There is a group at IFM dedicated to realising perspective of equal opportunities throughout this vision by monitoring the situation at the all our activities and with students, employees department related to equal opportunities and temporary guests all in mind. This is a issues, by running projects, and by making sure fundamental matter of fairness and meets that information about seminars and projects national legislation, but we believe that it also arranged by LiU is made available. This group contributes to an attractive study and work had the following members at the end of 2015: environment and results in increased creativity Ann-Christin Brorsson (equal opportunities and quality in what we do. In this work, we representative at IFM), Karin Enander (equal mainly address issues of equality and gender, opportunities representative at IFM), Ulf ethnic and religious diversity, accessibility and Frykman (technical staff), Simona Eles participation for people with disabilities, and (technical staff), Chun-Xia Du (technical staff), equality of rights and treatment for everyone Agneta Johansson (teacher), Per Persson regardless of age or gender identity. It also (teacher), and Maria Ericsson (PhD student). concerns other forms of victimisation, related to e. g. social background.

Our vision: - IFM should be free from discrimination, harassment and other victimisation. - IFM recruitment processes should be non- discriminatory. - All employees and students at IFM should feel welcome. - IFM should take advantage of the resources and experiences that students and employees with different backgrounds, life situations and skills can bring to the university. - There should be equal opportunities in terms of employees’ working conditions, salaries, influence, career opportunities and possibilities to combine a professional career with responsibility for home and family. - There should be equal opportunities at all courses given by IFM and we are prepared to give special attention to students who have been granted special educational support.

13 Collaboration School contacts Our department has always been very active in different forms of school contacts. For many years we have had young researchers part time employed for external contacts, one each from Photos from the popular science day, a study physics, chemistry and biology. IFM is visit and “Sommarveckan”. represented in the board for school contacts of LiTH. The goal of this board is to coordinate and lectures and discussions. This activity is support existing activities, as well as developing arranged in cooperation with the Mathematics new exciting activities. department MAI. Perhaps the most frequent activity is various study visits by children, young people and teachers. Popular science week During 2015 IFM hosted numerous visits In October we participated in a Popular Science and we also visited Soltorgsgymansiet in week for the general public. The IFM-professor Borlänge where we offered exciting Per Jensen initiated this event in 2005, and the demonstrations and lectures on topics related interest is steady growing since then. The to physics, biology and chemistry. success of the initial Popular Science day has led to a larger three-day arrangement involving Summer school fields from the entire university, the Popular LiTH arranges a summer school, Science week, with about 2000 visitors. IFM “Sommarveckan”, for pupils in elementary participated 2015 with exhibitions and lectures school, at the age of 14-15 years, who want to given by PhD students as well as senior learn more about natural science and researchers, e.g. on ethology and molecular technology. physics. • In 2015, the event consisted of five days with different themes. The week started with a day In-job training for high school teachers about physics at IFM. The remaining days In October the Chemistry department hosted included computer science, visualization, an in-job training day for high school teachers biology, chemistry and technology. There were active in Östergötland. The program consisted 108 participants from the region. of lectures from active researchers, a tour of the • During the physics day the pupils were shown research lab facilities and a fruitful discussion a demonstration of phenomena occurring at between highschool teachers and university low temperatures, such as superconductivity. teachers on topics of mutual interest concerning One popular moment was when they got to chemistry education. crush roses cooled by liquid nitrogen to low temperatures. The pupils also had the chance to Open house days build their own telescopes. During the annual Open House days arranged by Linköping University, IFM participated with May Mingle hands-on exhibitions. These days aim to inspire In May we have a popular activity targeting teachers and pupils from upper secondary secondary and upper secondary school teachers, school and encourage the pupils to head for the May Mingle, “Majminglingen”. higher education. Schoolteachers and university teachers meet in

14 Education for Undergraduate Students The undergraduate education given by the Department of Physics, Chemistry and Biology (IFM) had four main teaching areas 2015.

• Physics (Director of Studies: Magnus Johansson)

• Physics -Measurement Technology (Director of Studies: Magnus Boman)

• Biology at the Natural science, Teachers and Engine- ering programs (Director of Studies: Agneta Johansson)

• Chemistry at the Natural science, Teachers and Engi- neering programs (Director of Studies: Magdalena Svensson)

Main Director of Studies was Magnus Johansson/Kenneth Järrendahl. Physics Y: Applied Physics and Electrical Staff Engineering (90) • Director of studies: Magnus Johansson Yi: Applied Physics and Electrical Engineering - International (20) • Administrative assistants: Agne Virsilaite Maras/Lena Wide The nominal time for the Engineering M.Sc. • Technical staff: Hasan Dzuho and Jonas programs is 5 years. The first three years mainly Wissting consist of compulsory courses in basic subjects • Course leaders: Björn Alling, Rickard and corresponds to B.Sc. degree. Starting from Armiento, Hans Arwin, Jens Birch, Emma Björk, Magnus Boman, Irina Buyanova, 2014, the third-year students on the Y(Yi)- Valeriu Chirita, Marcus Ekholm, Per Eklund, program can choose to make a Bachelor Project Fredrik Eriksson, Jens Eriksson, Mats in Applied Physics offered by our teaching area. Eriksson, Mats Fahlman, Urban Forsberg, During the third year the students make a Carl Hemmingsson, Chariya Jacobi, Magnus choice among the different specialisations Johansson, Kenneth Järrendahl, Fredrik Karlsson, Peter Münger, Son Tien Nguyen, (Master profiles) in years 4-5, which contain Wei-Xin Ni, Weine Olovsson, Plamen Paskov, some compulsory courses (profile courses) but Johanna Rosén, Per Sandström, Kostas most are selectable and can be composed to fit Sarakinos, Sergei Simak, Niclas Solin, Mikael the students own interest. Syväjärvi, Ferenc Tasnadi, Roger Uhrberg, The Y(Yi)-students can choose between 11 Sergiy Valyukh, Irina Yakimenko profiles, two of which are organized in our • Assistant lecturers: Peter Andersson, Robert teaching area: Pilemalm • Theory, modelling and visualization • Teaching assistant: Maria Pihl (Irina Yakimenko/Rickard Armiento) In our teaching area, we are responsible for • Material and nano physics (Fredrik Eriksson) physics courses on the following Engineering M.Sc. programs offered by the Institute of The MED-students can choose between 3 Technology at Linköping University. profiles; of these, Biomedical engineering (The Swedish name of the degree from one of materials is organized in our area (Thomas these programs is “Civilingenjör”.) A total of Ederth). about 700 students are annually accepted in The profiles organized in our area all lead to these programs. a M.Sc. with a major in Applied Physics.

D: Computer Science and Engineering (90) In addition, we also give physics courses on the I: Industrial Engineering and Programme in Physics and Nanoscience (FyN), Management (180) leading to a Bachelor of Science (3 years) with a Ii: Industrial engineering and major in Physics, on the Master’s Programme in Management - International (40) Physics and Nanoscience (MFYS), on the IT: Information Technology (30) International Master’s Programmes in M: Mechanical Engineering (120) Materials Science and Nanotechnology (MSN), MED: Biomedical Engineering (30) and, to a minor extent, Biomedical Engineering MT: Media Technology and Engineering (60) (BME) and Electronics Engineering (ELE). TB: Engineering Biology (30) Contact persons in our teaching area are U: Computer Science and Software Marcus Ekholm (FyN, MFYS) and Wei-Xin Ni Engineering (30) (MSN).

16 Below is a list of the courses given by our Classical Electrodynamics, 6hp teaching area in 2015. Computational Physics, 6hp Cosmology, 6hp Tuition in Physics Experimental Physics, 6hp • Basic courses: Fundamentals in Materials Science, 6hp Material Optics, 6hp Alternative Energy Sources and their Mathematical Methods of Physics, 6hp Applications (FyN, MFYS, Y), 6hp Nano Physics, 6hp Applied Physics - Bachelor Project (Y, Yi), 16hp Optoelectronics, 6hp Electromagnetic Field Theory (FyN, Y, Yi), 8hp Physical Metallurgy, 6hp Electromagnetism - Theory and Applications Physics of Condensed Matter I, 6hp (IT), 8hp Physics of Condensed Matter II, 6hp Electromagnetism - Theory and Applications Project course in Computational Physics CDIO, (MED), 6hp 12 hp Engineering Mechanics (D), 6hp Project Course in Physics - Design and Engineering project (MED, Y, Yi), 6hp Fabrication of Sensor Chip, CDIO, 12 hp Mechanical waves (FyN), 2hp Quantum Computers, 6hp Models in Physics (IT), 8hp Quantum Dynamics, 6hp Modern Physics (MED), 6hp Quantum Mechanics, 6hp Modern Physics I (FyN, Y, Yi), 4hp Semiconductor Technology, 6hp Modern Physics II (FyN, Y, Yi), 4hp Soft Condensed Matter Physics, 6hp Nano Scientific Project (FyN), 6hp Surface Physics, 6hp Nanotechnology (BME, FyN, MFYS, MSN, TB, Thin Film Physics, 6hp Y, Yi), 6hp Optics - Theory and Application (FyN, MED, Y, • Single subject course: Yi), 4hp Physics and the Environment, 6hp Oscillations and Mechanical Waves (MED), 4hp We also examined and supervised the Oscillations and Mechanical Waves (Y, Yi), 4hp individual Degree projects for 4 Bachelor’s Perspectives on Physics (D, FyN, Y, Yi), 2hp Theses (16hp) and 24 Master’s Theses (30hp) Physics (D), 5hp in Physics or Applied Physics, finished in 2015. Physics (I, Ii), 6hp Physics (M), 6hp Physics and Mechanics (U), 6hp Physics of Sound (MT), 6hp Principles of Physics and introduction to Nanophysics (FyN), 10hp Thermodynamics and Statistical Mechanics (FyN, Y, Yi), 6hp

• Advanced courses: Advanced Project Work in Applied Physics, 6hp Analytical Mechanics, 6hp Analytical Methods in Materials Science, 6hp

17 Biology Staff the Environment. The profiles in Applied • Director of studies: Agneta Johansson; Ethology and Physiology are a collaboration between the department of biology at • Education administrator: Eva-Maria Stigsdotter; Linköping University and the Kolmårdens Djurpark. • Engineers: ToveBjerg; The first year includes nine courses and at • Teachers: Jordi Altimiras, Mats Amundin, the end of the year the student start with his/ Karl Olof Bergman, Kjell Carlsson, Bo her Master thesis. The Master thesis is a full Ebenman, Johan Edqvist, Jenny Hagenblad, Anders Hargeby, Per Jensen, Anna Eklöf, year project that will take most of the second Hanne Lövlie, Jennie Westander, Matthias year. At the end of the second year the Laska, Eva Mattsson, Per Milberg, Lina Roth, programme ends with a final course – Karin S Tonderski, Uno Wennergren, Communicating science. Dominic Wright and Thomas Östholm

Courses in biology are offered as parts of The current Program for teacher education for the the following study programmes: Upper Secondary School and the Primary School started in 2011. The program involves a • Bachelor of Science in Biology, profiles in Biology and a Nature Science profile. The Ecology, Environmental Management and division has been responsible for the biology Nature Conservation, Ethology and part of the program. AnimalBiology and Molecular Genetics and Physiology Biology courses are also given in • Masters of Science in Biology, profiles, the program: Applied Ethology and Animal Biology, Ecology and the Environment • Chemical Biology • Chemical Biology • Engineering Biology • Engineering Biology • Industrial Engineering and Management • Industrial Engineering and Management • Experimental and Medical Biosciences • Experimental and Medical Biosciences • The Program for education in Linköping Separate courses. All courses within the Biology programme are also available as separate • Separate courses courses. Besides the courses in the Biology • Basic year programme 8 separate courses have been given.

Bachelor of Science in Biology, profiles in Ecology, Basic year, with introductory courses in biology Environmental Management and Nature on the Upper Secondary School level. Conservation, Ethology and Animal Biology and Molecular Genetics and Physiology (180 Bachelor programmes credit points/hp). The Programmes include, in Animal Function and Environmental the first two years, basic courses in chemistry Adaptation 15 hp and general biology. In the third year here are Animal Husbandry and its Administration, 6hp courses specific for each profile. Applications of Geographic Information Systems (GIS), 6 hp Master of Science in Biology, profile in Applied Botany 1, 6 hp Ethology and Animal Biology, and Ecology and Botany 2, 6 hp

18 Cell Biology, 6 hp, Biology (38-45 hp), 1,5 hp Degree Project - Bachelor’s Thesis, 16 hp Biology (46-60 hp), 15 hp Ecology , second course, 15 hp Biology (61-75 hp), 15 hp Ecology, 6 hp Biology (76-90 hp), 15 hp Environmental Management, 6 hp Biology (91-97,5 hp) 7,5 hp Ethology and Animal Welfare, 15hp Biology thesis, 15 hp Ecotoxicology and Environmental Monitoring, 6 hp Environmental Protection and Environmental Engineering Biology Impact Assessments, 9 hp Cell Biology, 6 hp Evolution, 6 hp Microbiology, 6 hp Genetics, 6 hp Principals in Physiology, 6hp Scientific Methods, Analysis and Statistics, 6 hp Microbiology, 6 hp Chemical Biology Molecular Physiology and Cell Signaling Cell Biology, 6 hp Mechanisms, 6 hp Genes and Gene Expression, 15 hp Genes and Gene expressions, 15 hp Genetics, 6 hp Nature Conservation in Practise, 15 hp Microbiology, 6 hp Principals in Physiology, 6 hp Molecular Physiology and Cell Signaling Zoology, Morphology and Systematics, 6 hp Mechanisms, 6 hp Principals in Physiology, 6 hp Masters of Science in Biology, profile Ecology and the Environment Industrial Engineering and Management Communicating science, 6hp Genetics and Evolution, 6hp Degree Project - Master’s Thesis, 60 hp Ecology and the Environment, 6 hp Methods in ecology, 15 hp Biotechnology - Bachelor Project, 18 hp Ecological Applications in Agriculture, Forestry Modelling of Biological Systems, 6 hp and Fisheries, 9 hp Cell biology and microbial processe,s 6hp In situ Conservation, 6 hp Principles in Physiology and Ethics, 6hp Internship in Ecology, 9 hp Modelling of Biological Systems, 6 hp Experimental and Medical Biosciences Population Ecology: Theories and Applications, 9 hp Cardiovascular Biology, 7,5 hp Laboratory Techniques in Experimental Masters of Science in Biology, profile Applied Ethology Biosciences, 7,5 hp and Animal Biology Applied Ethology, 15hp Separate Courses Behaviour Genetics, 7,5 hp Behaviour and Biology of the Dog, part 1, 7,5p Behavioral Neurobiology, 7,5 hp Behaviour and Biology of the Dog, part 2, 7,5hp Communicating science, 6 hp Behaviour and Biology of the Dog, part 3, 7,5hp In situ Conservation for Ethologists, 7,5 hp Introduction to Ethology, 7,5hp Degree Project - Master’s Thesis, 60 hp Senses and Behaviour of the Horse, 7,5 hp Methods in Applied Ethology, 7,5 hp Ethology - Continued Course, 7,5 hp Theory of Applied Ethology, 7,5 hp Faunistics & Floristics, 9hp summer course Primate Ethology, 9 hp Zoo Biology, 7,5 hp Basic year Biology for Foundation Year, 7 hp Programme For Education Biology for Foundation Year, 7 hp - Biology courses Biology (1-15 hp), 15 hp Biology (16-30 hp), 15 hp Biology (31-37,5 hp), 7,5 hp

19 Chemistry Staff All study programs consist of three-year • Director of studies: Magdalena Svensson Bachelor of Science programs (180 hp) and master programs on advanced level for further • Education secretary: Rita Fantl two years (120hp). Chemistry offers master • Study counselor: Helena Herbertsson profiles inOrganic Synthesis/Medicinal Chemistry • Technical staff: Bo Palmquist, and Protein Science. Fredrik Söderlind Some of the chemistry courses are also • Teachers: Anki Brorsson, Marcus Bäck, Uno included in the study programmes of students Carlsson, Johan Dahlén, Karin Enander, Per majoring in Biology, Medicinal Biology and in Hammarström, Helena Herbertsson, Bengt- Teacher Training Programs (students becoming Harald Jonsson, Martin Josefsson, Peter Konradsson, Ingemar Kvarnström, Per-Olov Upper Secondary School teachers). Biology Käll, Maria Lundkvist, Patrik Lundström, bachelors are required to earn 21 hp chemistry, Annika Niklasson, Gunilla Niklasson, Lars while Science Education majors earn up to Göran Mårtensson, Peter Nilsson, Lars 45-120 hp of chemistry. Ojamäe, Elke Schweda, Maria Sunnerhagen, Besides the above mentioned courses as part Magdalena Svensson, Henrik Pedersen, Fredrik Söderlind, Gunnar Höst. of the Mathematical Natural Science, chemistry courses are offered for engineering students in Study programmes in Chemistry: the M.Sc. program Chemical Biology (also • Chemistry (Ke) mentioned above) and Engineering Biology (TB) • Chemical Biology (KB) (270 hp). The Chemical Analysis Engineering (KA) • Chemical Analysis Engineering (KA) (180 hp), a three-year programme, has • Master of Science program. Profiles: Organic analytical chemistry as the main profile. Synthesis/Medicinal Chemistry and Protein Basic Year (69 students, 8 hp, 11 students, 7 Science. hp), with introductory courses in Chemistry on • Technical Biology (TB) a secondary school level, is offered to students • Teacher Training Programs who do not meet the requirements for studies at the University. • Separate Courses

• Basic Year In 2015 a total of 50 students graduated: Most of the chemistry courses offered are part • Bachelor of Science in Engineering of the three-year programmes, Chemistry (Ke) - Chemical Analysis Engineering 9 students and Chemical Biology (KB), (180 credits points/ • Bachelor of Science Chemistry – Molecular hp). Students completing these programmes Design / Chemical Biology 3/7 students are awarded the degree of Bachelor of Science • Master of Science Chemistry / Chemical in Chemistry. All courses within the Chemistry Biology 7/1 students Program are also available as separate courses. • Master of Science in Chemical Biology 23 The program, Chemical Biology (KB), have an students open entrance for the students: after a year of Altogether approximately 750 students have studies the students can choice to continue in enrolled in about 75 courses in chemistry natural science (or to choose a more technical through the year 2015. variant to become engineers). Chemical Biology combines understanding of complex biological processes with the fundamental principles of chemistry.

20 Natural sciences courses hp Bioinformatics 3 Advanced Organic Synthesis 12 Biological Measurements 6 Analytical Chemistry - Chromatography 6 Biomolecular Disease Processes 6 Analytical Chemistry S 6 Biostructural Technologies 6 Analytical Chemistry T 6 Chemistry for Foundation Year 8 + 6 Biochemistry 1 6 Chemometrics 3 Biomolecular Design 6 Environmental Chemistry 6 Combinational Protein Engineering 6 Forensic Biochemistry 6 Experimental Chemistry 6 Forensic Chemistry 6 General Chemistry 1 6 Fundamentals of Chemistry 6 General Chemistry 2 6 Gene Technology 3 General Chemistry 9 Life Scientific Research Review 6 Inorganic Chemistry 6 Organic Chemistry 6 Medicinal Chemistry 6 Physical Chemistry (KB) 6 Medicinal Natural Products 6 Preparation of Proteins 3 Molecular Design - Project Course 6 Principles of Environmental Chemistry 6 Organic Analytical Chemistry 12 Project Course; Chemical Biology 6 Organic Chemistry 15 Project in Chemical Analysis Engineering 6 Organic Chemistry 3 Protein Chemistry 6 Organic Chemistry 1 6 Protein Engineering and Project Management Organic Chemistry 2 12 -Bachelor Project 16 Organic Synthesis 9 Proteomics 6 Physical Chemistry Spectroscopy 6 Spectroscopy and Kinetics 6 Physical Chemistry Thermodynamic 6 Degree Project - Bachelor’s Thesis (KA) 16 Physical-Organic Chemistry 6 Degree Project - Master’s Thesis (KB) 30 Protein Chemistry 12 Degree Project - Master’s Thesis (KB-TB Statistical Tools for Chemical Analysis 6 profile) 30 Degree Project - Bachelor’s Thesis (KB) 16 Degree Project - Bachelor’s Thesis 16 Teacher Education hp Degree Project - Master’s Thesis 30 Chemistry (1-15 hp) 15 Degree Project - Master’s Thesis (KB) 30 Chemistry (16-30 hp) 15 Degree Project - Master’s Thesis (KB) 40 Chemistry (31-45 hp) 15 Degree Project - Master’s Thesis 60 Chemistry: Teaching Practice (46-52,5 hp) 7,5 Degree Project - Master’s Thesis (KB) 60 Chemistry (53-60 hp) 7,5 Chemistry (61-75 hp) 15 Technical courses hp Chemistry (76-90 hp) 15 Advanced Bioinformatics 6 Chemistry (91-97,5 hp) 7,5 Analytical Chemistry (TB) 6 Chemistry thesis 15 Application Areas to Chemical Analysis Engineering 6 Applied Structural Biology 6 Biochemistry 1 (KA) 6 Biochemistry 2 6

21 Physics - Measurement Technology Activity field Profiles The division provides undergraduate courses in: At an advanced level, courses are provided for • Physics two profiles: • Measurement technology • Devices and Materials in Biomedicine (TB) Profile leader: Karin Enander. • Biomaterials and Biotechnology • Industrial Biotechnology and Production Staff (KB, TB). Profile leader: Carl-Fredrik Mandenius. • Director of studies: Magnus Boman • Administrative assistants: Rita Fantl, Courses Lena Wide Physics: • Technical staff: Hasan Dzuho, • Astronomy and Geophysics (FyN) 6 hp Jonas Wissting • Basic year, Physics 1 (BAS) 12 hp • Course leaders: Daniel Aili, Peter Andersson,Valerio Beni, Peder Bergman, • Basic year, Physics 2 (BAS) 8 hp Emma Björk, Jonas Björk, Lars Björklund, • Basic year, Physics 3 (BAS) 7 hp Caroline Brommesson, Bo Durbeej, Thomas Ederth, Marcus Ekholm, Anders Elfwing, • Engineering Mechanics (KB, TB), 6 hp Jens Eriksson, Mats Eriksson, Karin Enander, • Mechanics (MED, Yi), 6 hp Daniel Filippini, Robert Gustavsson, Anne • Mechanics I (FyN), 6 hp Henry, Gunnar Hörnsten, Olle Inganäs, Fredrik Jeppsson, Magnus Johansson, • Mechanics II (FyN), 4 hp Kenneth Järrendahl, Roger Magnusson, Carl- • Molecular Physics (TB), 6 hp Fredrik Mandenius, Magnus Odén, Mehrdad Rafat, Lina Rogström, Per Sandström, Vallery • Physics (KB, TB), 6 hp Stanishev, Anke Suska, Anthony Turner, • Physics 1-15 hp, (LP), 15 hp Kajsa Uvdal • Physics 16-30 hp, (LP), 15 hp Highlights 2015 • Physics 31-45 hp, (LP), 15 hp • Two new courses, Physics 2 and Physics 3, • Physics 46-60 hp, (LP), 15 hp were developed and given as a part of the Basic year. • Physics 61-75 hp, (LP), 15 hp, • Three new courses (Physics 61-75 hp, Physics • Physics 75-90 hp (LP), 15 hp 76-90 hp, and Physics 91-97,5 hp) were • Physics 91-97,5 hp (LP), 7,75 hp developed and given as a part of the new • Thesis in Physics (76-90 hp) (LÄR), 15 hp Teacher training programme • Wave Physics (EL), 4hp Programmes The courses are given for the: Measurement technology: • Engineering Master of Science programmes: • Computers in Measurement Systems (KA), 6 hp BME, D, I, Ii, KB, M, MED, TB, Y, Yi. • Contemporary Sensor Systems (BME, FyN, • Engineering Bachelor of Science MED, MFYS, Y), 6 hp programmes: DI, EL, KA, MI. • Electrical Measurement Systems (EL), 4 hp • Bachelor of Science program: FyN. • Measurement Technology (FyN, Mat, MED, • Teacher training programmes: LP. Y, Yi), 1,5 hp • Basic year and semester: BAS, BAST. • Measurement Technology (D, DI), 4 hp • Measurement Technology (M, MI), 6 hp

22 International Master’s Programme • Measurement Technology (TB), 6 hp Master’s Programme in Applied Ethology and Animal Biology Biomaterials and Biotechnology: This programme deals with animal behvaiour • Biomedical Materials (BME, TB), 6 hp and biology from an applications perspective. • Biosensor Technology (KB, MED, TB), 6 hp Central issues are the biology of stress and • Biotechnology Manufacturing (KB, TB), 6hp animal welfare, domestication effects on • Biotechnology Project (I, Ii), 6 hp behaviour, physiology of behvaiour and • Degree project - Master’s Thesis (TB, KB), 30 hp conservation biology. The programme is taught in association with • Design of Biotechnical Process and Production -systems, project Course (KB,TB), Kolmården Zoo which sometimes is the 6 hp. teaching venue. Learning rests on a mix of • Engineering Project (TB, KA), 6 hp classroom lectures , seminars ans hands-on projects involving studies of animals in captive • Materials and Nanotechnology (TB), 6 hp enivornments. • Materials for Biomedical Engineering; from- All over the world, problems associated with nano- to macro-level (MED), 8 hp keeping animals in captivity require increased • Materials in Medicine, CDIO-Project (TB), 6 hp attention and knowledge. • Microsystems and Nanobiology (TB, Y), 6 hp After completed studies, the student should • Imaging and ubiquitous biosensing (TB), 6 hp be well-acquainted with theories of animal • Industrial Biotechnology (KB, TB), 6 hp behaviour and biology, and have a close understanding of the concepts of animal • Introduction to Biosensor Technology (I, Ii, MED), 6 hp welfare and conservation. Examination requires the ability to plan, implement and present a • Supramolecular Chemistry (TB), 6 hp scientific investigation in the subject framework • Surfaces and interfaces (KB, MED, TB), 6 hp of the programme. • Surface Science (KB, TB), 6 hp More information: http://www.liu.se/ utbildning/pabyggnad/6METH?l=en&sc=true

Master’s Programme in Ecology and the Environment, 120 ECTS Students will develop a critical scientific approach to ecology and an awareness o fits role in society. http://www.liu.se/utbildning/ pabyggnad/6MECO?l=en&sc=true

Master’s Programme in Materials Science and Nanotechnology The Master’s Programme in Materials Science and Nanotechnology educates students for specialization in the area of physics of novel materials. The master students are prepared for

23 university or industry careers in materials related research and development. The programme covers a broad perspective of today’s materials science and links to applications in semiconductor technology, optoelectronics, bioengineering (biocompatibility), chemical and biosensors, and mechanical applications for high hardness and elasticity, etc. The programme comprises four semesters. The first autumn semester dedicates mainly to the compulsory courses while the two following semesters contain a large variety of elective courses to choose among essentially four profiles: • Electronic materials and devices • Surface and nano-sciences • Theory and modelling of materials • Organic/molecular electronics and sensors The final semester is assigned to the Master’s thesis and that should be based on a high quality scientific research project within the area of the profile chosen by the student. The thesis project work can be performed either at Linköping University or at other universities. More information: http://www.liu.se/ utbildning/pabyggnad/6MMSN?|=en

Organic Synthesis/Medicinal Chemistry Deals with the design, synthesis and evaluation of low molecular weight organic substances which are biologically active. The programme begins with courses in organic chemistry and organic synthesis, building from the basic concepts to the advanced level, followed by an introduction to medicinal chemistry. Students will acquire the theoretical knowledge and practical experience needed to work with organic synthesis in the pharmaceutical industry. More information: http://www.liu.se/ utbildning/pabyggnad/6MKOS?l=en&sc=true

24 Graduate Education Forum Scientium A multidisciplinary doctoral Forum Scientium has financial support from the faculty and from the supervisors. programme within biology, The strategic objectives are “PhDs well chemistry, medicine, physics prepared for their future careers through a and technology structured doctoral programme which includes • Programme director, director of studies: research of world class, and cooperation and Stefan Klintström multifaceted contacts with industry and society”. • Assistant director of studies: During 2015, the doctoral programme Charlotte Immerstrand Forum Scientium had around 60 PhD- • Chairperson of the scientific advisory students, and during the year 11 PhD and one committee: Ingemar Lundström licentiate theses were presented and defended. • Administrator: Anette Andersson Other activities during 2015: • Ten monthly meetings at Campus US, IFM is the host for the doctoral programme Norrköping and Valla Forum Scientium (http://www.liu.se/ • Study visit to Edinburgh/Glasgow/Dundee, forskning/scientium/?l=en). Forum Scientium May 2015 is a multidisciplinary programme and the • Summer Conference at Vårdnäs, August 2015 doctoral students have backgrounds within • Poster competition during the summer biology, chemistry, medicine, physics and conference, August 2015 technology. The research projects are located at • Yearly individual follow-up with each PhD- two faculties; Faculty of Health Science and the student Faculty of Science and Engineering, three • Courses of high quality campuses; Norrköping, US and Valla, and five departments; ITN, IKE, IMT, IFM and IMH.

August 2015. The Forum Scientium Summer Conference at Vårdnäs

26 Graduate School Agora Materiae

• AFM Director: Magnus Berggren Sandvik Coromant AB in Västberga and Gimo • Graduate School Head: Per Olof Holtz were visited, and the second day Agora went to Sandvik Material Technology R&D in • Graduate School Administrator: Anette Frid Sandviken. • Agora Student Council in the end of 2015: Mikhail Chubarov (Thin Film Physics, IFM) Igor Mosyagin (Theoretical Physics, IFM) Summer conference: Every year, there is a summer Sit Kerdsongpanya (Thin Film Physics, IFM) conference arranged during approximately Jesper Edberg (Organic Electronics, ITN) three days. In Aug. 2015, the summer Lía Férnandez del Río (Applied Optics, IFM) conference took place in Kolmården Vildmarkshotell and had this year two parts: A The Agora Materiae Graduate School for PhD first part for Agora solely with invited speakers, students working in the research field of novel poster presentations and outdoor activities and functional materials was formed about three a second part, which was coordinated with the years ago, in the beginning of 2012. Today “mother organization” AFM for an international Agora Materiae has 47 members, from the three materials workshop with several invited departments IFM, ITN and IEI. In year 2014, 7 speakers and researchers from industries, PhD theses and 4 licentiate theses of Agora institutes and from universities. members were presented and defended. Agora Materiae provides financial support from Seminar activities. Every fourth week, all Agora AFM, which manages larger investments in PhD students attend seminar activities. Each research and infrastructure, based on the time three Agora members give a presentation, strategic support from the Swedish government and in addition one invited speaker, often a for materials science. The Graduate School is former PhD student, forward his/her dedicated to offer graduate studies in a true experiences as a postdoc at these occasions. multi-disciplinary environment. Common courses. Agora Materiae graduate school Some important activities within the Agora arranges common courses, such as Basic Materiae Graduate School during 2015: Management of Research Projects and Analytical Methods in Materials Science. In Study visit: In May 2015, Agora Materiae year 2015, there was a new course in Graduate School went to the company Sandvik Presentation Techniques arranged by Agora for AB for a two-day study visit. The first day, the first time.

27 IFM Graduate Program

Yearly individual follow-up. Each PhD student in Director of Graduate Studies: Per Olof Holtz Agora had a discussion with the graduate The graduate program at IFM, Linköping school director in oct/nov 2015 to discuss University aims at a degree of Licentiate or project, progress, time schedule, but also Doctor of Technology or Philosophy. To fulfill problems in the graduate program. the requirements for this exam, the graduate student completes a number of courses and Nobel lecture. Prof emeritus Bo Monemar from writes a doctoral/licentiate thesis. The graduate IFM lectured on Nov 26 about the Nobel prize student aims at a Doctor degree in four years 2014: “The invention of efficient blue light- (full-time training) or for a Licentiate degree in emitting diodes which has enabled bright and approximately half the time. However, most energy-saving white light sources”. Prof students also do teaching at undergraduate Monemar has been collaborating with two of level (at a maximum 20% of their time), which the Nobel prize winners for more than 20 years, means that the total time to provide the and was awarded as Honorary Doctor at Doctoral degree can be extended by up to a Nagoya University in October 2006. Prof year. The course part corresponds to either 30 Monemar has been working as a visiting or 45 credit points (hp) for the Licentiate thesis researcher in Japan during the autumn 2015. and either 60 or 90 hp for the Doctoral degree dependent on which research area the PhD student is registered. During the year 2015, 33 new students entered the graduate program at IFM. In the end of 2015, a total of about 165 PhD students were registered. There were in total 40 graduate exams, of which 28 were PhD exams and 12 Licentiate exams, at IFM during the year 2015. There are two graduate schools, Forum Scientium and Agora Materiae, based at IFM, but these graduate schools also attract PhD students from other departments (e.g. ITN and IEI) within the technical faculty, but also from the medical faculty (HU). The course menu is organized jointly for the different scientific research groups at IFM, which means that a broad course menu within physics, chemistry and biology is offered, reflecting the strong inter-disciplinary character prevailing at IFM. About 50 courses were offered at IFM during the year 2015 (See Table below), but the PhD students can also follow courses given at other departments of Linköping University or at other universities. There are compulsory courses for all PhD students; Science methodology (4 hp) and

28 ethics (2 hp), arranged by the technical faculty. PhD courses offered at IFM 2015 In addition, for all PhD students doing teaching Scanning Probe Microscopy 3 hp at undergraduate level, a basic pedagogics Polymer Physics 3 hp course is mandatory. IFM is arranging such a Aspects of the MOCVD of (Al, B)N and pedagogics course giving 3 hp credits. towards their scalability 5 hp Each PhD student is required to make an Quantum computers 6 hp individual study plan each year. This study plan Quantum mechanics I 7,5 hp should contain information on e.g the Synchrotron Radiation 7,5 hp supervision, a time schedule for the PhD XRD, experimental part 4 hp studies, a project plan for the research work TEM 5 hp together with teaching and other duties at the Nano Physics 6 hp department. During 2015, an annex with Nucleation and Growth 2 hp information about the fulfillment of the aims Biotechnology advanced course 10 hp for the PhD student given in the national Bio Technology, Exp. Techniques 10 hp regulations has been added. Trends in Bio Technology 10 hp Moreover, each PhD student at IFM will be IR-spectroscopy 5 hp provided with a mentor when entering the Molecular Mechanics and Dynamics 7,5 hp graduate studies. The mentor is a person, who Computational Quantum Chemistry 5 hp is well experienced of graduate programs and Thin Film Physics 6 hp supervision of PhD students. The most Network Theory 3 hp important reason for the mentorship system at Solid State Physics II 7.5 hp IFM is that each PhD student should have the Analytical Methods in Materials Science possibility to discuss with another person than (AMMS) 6 hp his/her supervisor on various questions related Biomolecular inreractions 6 hp to the graduate studies. The mentor is also Soft Materials and Self Assembly 6 hp taking part in the annual follow-up of the Physical Metallurgy 6 hp individual study plans. Electrical characterization of semiconductors 5 hp Semiconductor Physics 6 hp Ion Beam Analysis in Material Science 7,5 hp Introduction to growth of III-nitride nano structures 3 hp Biosensor Technology 6 hp Density Functional Theory 7,5 hp Introduction to cathodoluminescence spectroscopy 7,5 hp Chemical Sensor and Science Technology (web based) 3 hp Statistical and Thermal Physics I 7,5 hp CAD for scientific use 3 hp Molecular Basis of Protein Conformational Diseases 6 hp Semiconductor Physics I 8 hp

29 Surface Physics 6 hp Imaging and ubiquitous biosensing 6 hp Advanced organic electronics 6 hp Modeling of CVD 6 hp Photoelectron Spectroscopy and its applications 6 hp Biomolecular disease processes 6 hp Growth perspectives on scalable materials 5 hp Nanoscale phenomena on surfaces and interfaces 3 hp Biomolecular Structural Analysis 8 hp Science education for postgraduate /doctoral students 3 hp Bioethics/research ethics 3 hp Basic management of Research projects 1,5 hp Entrepreneurship 6 hp Trends and properties in the periodic chart 5 hp Catalysis 4,5 hp Behavior genetics 6 hp Advanced bioinformatics 6 hp Practical Electrochemistry 4 hp Polarized Light 4 hp

30 Scientific Branch of Applied Physics General Information Research divisions and professors research activities target important needs in • Applied Optics: Kenneth Järrendahl (head), society where applied science contributes to Hans Arwin create new products and new technical • Applied Sensor Science: Anita Lloyd Spetz solutions. By using cross-disciplinary mind-sets (head) in an interactive environment with researchers • Biomolecular and Organic Electronics: from all areas of science and technology, Olle Inganäs (head), Fengling Zhang Applied Physics has the goal and ambition to • Biosensors and Bioelectronics: Anthony provide new findings and results of high value Turner (head), Fredrik Winquist (emeritus), for industry, healthcare and environmental Ingemar Lundström (emeritus) protection. • Biotechnology: Carl Fredrik Mandenius The ten divisions contribute to this mainly (head), Johan Hyllner (adjunct), Gunnar within two areas: (1) sensors for analytical Hörnsten (adjunct) purposes and (2) molecular devices and • Chemical and Optical Sensor Systems: functional materials. Stefan Klintström (head), Daniel Filippini, In the area - sensors for analytical purposes Helen Dannetun (rector) - a variety of techniques and methods based on • Complex Materials and Devices: optical and electronic measurement principles Martijn Kemerink (head) are studied. The applications include sensor • Molecular Physics: Doc. Thomas Ederth analysis in clinical medicine, drug development, (head), Doc. Daniel Aili (deputy head), bioprocess control and environmental Bo Liedberg (on leave) monitoring. Examples of research activities are: • Molecular Surface Physics and Nanoscience: Biosensors for distributed diagnostics, Kajsa Uvdal (head) printed electrochemical sensors, wearable • Surface Physics and Chemistry: sensor for mobile health and environmental Mats Fahlman (head), Nathaniel Robinson (deputy head) biosensors. Silicon carbide gas sensors for environmental monitoring and measurement at Steering committee high temperatures. Division heads and Dr. Stefan Klintström Amplification of sensor signals using (chairperson). nanoparticles with functional properties for imaging in biomedicine. Summary of activities Ellipsometric measurement techniques for investigating biological films and structures. The Scientific Branch of Applied Physics with Online monitoring techniques for its ten divisions is one of the large research controlling stem cell and bio-therapeutic units at Linköping University. It covers a wide manufacture. range of applied science where physics merges Nanoplasmonic biosensors for protein with chemistry, biology and engineering. The interaction and biomarker analysis.

32 Epitaxial graphene on silicon carbide and Photovoltaic devices for charge transfer. other 2 D sensing materials for gas and Thermoelectric generators and ratchets. biosensors Materials and devices for data storage based A particular challenge is the limits of on organic ferroelectrics. measurability of the sensors. Examples of Utilisation of biological materials for approaches to address this are development of improving functional materials such as lignin sensor materials with better analytical and brain fibres. performance and sensitivity e.g. by modifying the New techniques for device fabrication of sensor surface using novel structures of graphene microsystems, including microfluidic devices and silicon carbide. Other examples are new for 3D printing. This also paves the way for recognition molecules in the sensor and self- analytical sensors. assembled architecture of molecules. An example of application to optics is liquid Another challenge is to unravel information by crystal lenses with the potential to replace novel sensor configurations. This includes smart human eye lenses. sensors and soft sensors where mathematical Several of the molecular materials approach models and advanced data analysis are integral biology and biotechnology applications. parts of the sensors. With electronic noses and Examples are scaffolds for smart tissues, new tongues this is done by identifying pattern in biomaterials for tissue engineering and drug multiple signals. Imaging methods using delivery systems, and methods for hindering nanoparticles or microfluidic systems for lab-on- bio-adhesion in marine environments. a-chip and organ-on-a-chip applications are other examples. In many of the research activities at Applied The sensor research also includes studies of Physics, SMEs or larger companies are surface physics and chemistry and specific participants or stakeholders in the research interaction of bio- and organic molecules. with the intention to develop new products Another useful contribution is conceptual design from the results generated in the research where a systematic methodology covers groups. performance, sensor functionality and the users’ needs. Education The second area - molecular devices and During 2015, we had 40 PhD students within functional materials – exploits electrical and the Applied Physics. Eight PhD students did other physical properties for achieving new successfully present their PhD theses and two inventive devices and materials. PhD students presented their Licentiates. Most Understanding of surface physics and of the PhD students participate in the graduate chemistry and interactions and structure of schools Forum Scientium or Agora Materiae organic molecules is pivotal in the quest for these (see separate entries). The PhD students inventions. normally work in projects that involve two or Examples of research activities are: more divisions or departments at Linköping Using conductive polymers (PEDOTs) in form University. Forum Scientium is directed by Dr of lipid membrane bilayers integrated in animal Stefan Klintström. cells that can mimic the biological process. The Scientific Area contributes with 25 basic Biomolecular electronic devices using and advanced courses within their specialties in conjugated polymers for energy storage, such as several undergraduate programs, in particular solar cells.

33 the programmes “Engineering Biology”, • EU Nanotechnology based intelligent multi- “Biomedical Engineering” and “Applied Physics SENsor System with selective pre- and Electrical Engineering”. concentration for Indoor air quality control (SENSIndoor) • FFI (Fordonsstrategisk Forskning och Larger research programmes Innovation) Silicon carbide sensors for more • Strategic Faculty Grant AFM – Advanced reliable and efficient control of diesel engines Functional Materials • SSF project focused on epitaxial graphene on • Strategic Faculty Grant Security Link SiC, including graphene sensor activities • VINNOVA Challenge driven innovation (UDI) project Online sensor system for resource-efficient water management (Sensation) • VINNOVA VINN Excellence Centre FunMat • Linköping Initiative for Life Science Technologies (LIST) • EU IRSES network CANCERSENS • The Linköping Center for Nanoscience and Nanotechnology - CeNano • “Tail of the Sun” funded by the Knut and Alice Wallenberg foundation • “Power Papers” funded by the Knut and Alice Wallenberg foundation • “Designed Nanoparticles by Pulsed Plasma” funded by the Knut and Alice Wallenberg foundation • “Working on Venus” (WOV) funded by the Knut and Alice Wallenberg foundation • EU Marie Sklodowska Curie Innovative Training Network ”BIORAPID” • EU StemBANCC (Innovative Medicine Innovative IMI consortium) • EuNetAir, a COST Network • EU Marie Sklodowska Curie Innovative Training Network MICACT • EU Marie Curie ITN “Renaissance” • EU Next Generation Hybrid Interfaces for Spintronic Applications (HINTS) • EU SUstainable Novel FLexible Organic Watts Efficiently Reliable (SUNFLOWER) • SSF funded Large-area light-emission on the roll

34 Applied Optics Staff Natural photonic structures • Professors: Kenneth Järrendahl, Optical properties of cuticles of several species Hans Arwin, Arturo Mendoza Galván of beetles found primarily in Europe and South • Associate professor: Tomas Hallberg America were studied to learn how nature has (external) designed biomultilayers. Of special interest is • Assistant professor: Sergiy Valyukh to understand structural colors and the • Professor emeritus: Jan Landin associated polarization properties of light • Post Doctors: Lars Kroon, Roger Magnusson, reflected and/or scattered from cuticles as well Iryna Valyukh as relation between optical properties and • PhD students: Lía Fernández del Río, structure. Eloy Muñoz Pineda, Christina Åkerlind Of large scientific as well as technical • Administrative assistant: Anna Maria interest is the white beetle Cyphochilus Uhlin insulanus which scatters diffusively and • Visiting/diploma students: Andreas depolarize light due to structural effects. Andersson Mueller-matrix spectroscopic ellipsometry (MMSE) and light scattering techniques are used to reveal structural and optical details. At Scientific output small angles of incidence C. insulanus is close 14 publications, 1 patent, 12 conference to a Lambertian scatterer whereas at large contributions. Christina Åkerlind defended her angles it appears as a dielectric reflector. Licentiate thesis in April and Lía Fernández del Infrared studies show that the major Río had her half-time evaluation in October. constituent of the exoskeleton is α-chitin (Fig. 1). Research program We combine material optics and development of ellipsometric methodology to analyze optical properties and nanostructures of bulk materials, thin films and their interfaces. Our main technique is spectroscopic ellipsometry which is based on analysis of changes in the state of polarization of light interacting with Fig. 1 The diffusively scattering beetleC. matter. Our instruments cover the spectral insulanus range 0.19–33 μm (0.04–6.5 eV) and provide generalized ellipsometric data as well as MMSE is also applied to other beetles including depolarization and Mueller-matrix data. Our Cetonia aurata, Chrysina gloriosa and Cotinis software allows analysis of the dielectric ε, mutabilis. Specular and off-specular reflection magnetic μ and gyrotropic ξ and ζ tensors at as well as transmission MMSE-measurements optical frequencies. Using these features we can in combination with microscopy studies are address materials properties of nanostructured evaluated to reveal beetles exoskeleton materials in the field of photonics and structure. A large variety of complexity is metamaterials. observed including helicoidal, multilayered structures with single or multipitch and

35 narrow-band or broadband spectral properties. Artificial photonic structures Mueller matrices of beetles were also studied Nanostructured helical films composed of by method of decomposition, where complex, InAlN nanorods were fabricated and analyzed. depolarizing Mueller matrices were Both left-handed and right-handed structures decomposed into a sum of different, non- were grown which in reflected light exhibit left- depolarizing matrices. This is done by an and right-handed polarization, respectively. eigenvalue analysis of the covariance matrix (Magnusson, Arwin, Järrendahl. In calculated from the experimental Mueller collaboration with J. Birch and C-L. Hsiao, matrix. A variation on the eigenvalue analysis LiU). was developed, involving regression analysis. This method allows for a predefined set of matrices of which to decompose the Liquid crystal based optical experimental data into. With the regression elements method, noise is reduced and the result can Lenses with variable focal distance, switchable analyzed as a set of easily identifiable Mueller phase arrays and beam steering devices based matrices with their respective weight factors on liquid crystals were studied. The main focus (Fig. 2). was on development of non-uniform alignment (Arwin, Fernández, Hallberg, Järrendahl, conditions that enable us to achieve the needed Landin, Magnusson, Mendoza, Valyukh, distribution of the liquid crystal molecules Åkerlind. In collaboration with R. Ossikowski under a uniform external electric field. and E. Garcia-Caurel, École Polytechnique An objective LC micro-lens array for displays Palaiseau-Paris) located at the immediate vicinity of the eye, e.g. in contact lenses or glasses, has been proposed. The developed objective LC micro-lens array changes optical power from 0 to up to 5000 dioptres that makes it possible to see the display image and the surroundings clearly, i.e. confers the ability of augmented reality. (S. Valyukh. In collaboration with V.G. Chigrinov and H.S. Kwok, HKUST Hong Kong; P. Tytarenko, ISP NASU, Ukraine; O. Slobodyanyuk, Kiev University Ukraine).

Transformation optics and metamaterials There are many situations in which it may be Fig 2. The experimentally determined Mueller desirable to hide a sensitive object from a matrix of C. aurata (top) decomposed into a set magnetic field, but not to disturb the applied of one left-handed circular polarizer (middle) field. In this way, external functions of the field, and one mirror-like dielectric reflector (bottom) such as resolving objects in a magnetic each multiplied by their respective weight- resonance imaging scan, are preserved. A direct factor. current magnetic cloak that shields the inner region without affecting the exterior space

36 requires an inhomogeneous and anisotropic metamaterial characterized by a response that is diamagnetic in one direction and paramagnetic in the perpendicular directions as demanded by transformation optics in the limit of zero frequency. We have shown how to design a magnetic shield that is neutral to an arbitrary multipole magnetic field using composites made of isotropic and homogenous materials. An example of this is the neutral field confinement picture of a magnetic dipole at the origin, which is a conformal transformation of the uniform field expulsion picture in cylindrical symmetry (Fig. 3). (Kroon, Järrendahl).

Teaching The staff from Applied Optics are examiners for many undergraduate courses and activities: Arwin (Materials optics), Järrendahl (Optics, Electromagnetics); Magnusson (Wave physics); S. Valyukh (Energy sources). In addition we Fig. 3 A paramagnetic layer with permeability have been involved in several other courses as dictated by the geometry coating a perfect guest lecturers or assistants (Fernández del Río, diamagnet makes a neutral magnetic shield. Magnusson I. Valyukh, S. Valukh). The color tables show the absolute values of the magnetic flux densities originating from a magnetic dipole at infinity (top) and at the origin (bottom). Field lines are drawn.

37 Applied Sensor Science EuNetAir TD1105 (Lloyd Spetz Deputy Chair), New Sensing Technologies for Air-Pollution Control and Environmental Sustainability (36 countries).

Major grants • VINNOVA VINN Excellence Centre FunMat • “Working on Venus” (WOV) by Knut and Alice Wallenberg foundation (coordinator: KTH) • EU Nanotechnology based intelligent multi- SENsor System with selective pre- Staff concentration for Indoor air quality control • Professor: Anita Lloyd Spetz (SENSIndoor) (Coordinator: Saarland University, Germany, 10 partners) • Associate Professors: Mike Andersson, Jens Eriksson • FFI (Fordonsstrategisk Forskning och Innova-tion) Silicon carbide sensors for more • Assistant Professor: Donatella Puglisi reliable and efficient control of diesel engines • Administrative staff: Therese Dannetun (Coordinator: SenSiC AB) • Graduate students: Christian Bur (PhD • SSF project focused on epitaxial graphene on exam April 24, 2015), Hossein Fashandi (Lic SiC, including graphene sensor activities, degree February 20, 2015), Peter Möller, Lida approved nov 2015 (Coordinator: Chalmers) Khajavizadeh, Manuel Bastuck (from • Strategic Faculty Grant AFM – Advanced November 2015) Functional Materials • Research engineer: Peter Möller The AHMT Thesis Award 2015 Research activity Dr. Christian Bur, joint PhD student at Saarland University and Linköping University, Division of Applied Sensor Science participates received an award for his PhD thesis from in The Vinn Excellence Center FunMat (Lloyd AHMT, the German association of metrology Spetz Centre Head), Advanced Functional professors. Materials, AFM, and runs projects with the Divisions of Material Physics, Molecular Surfase Physics and Nanoscience, Plasma & New generation SiC-FET gas Coating Physics. sensors Lloyd Spetz holds a FiDiPro, Finland The SiC-FET gas sensors developed by the Distinguished Professor, at University of Oulu, spin-off company SenSiC AB in collaboration 50%, 2011-2015. The research project concerns with Applied Sensor Science and FunMat, development of a portable nanoparticle could be hermetically included in the LTCC, detector and a device for detection of toxic Low temperature co-fired ceramic, packaging effect of particles on cells. From March 2013, during processing. This also provides possibility Docent Mike Andersson has 25% position at to include smart functionality, and is a University of Oulu. collaboration with University of Oulu, Finland. We participate in the COST Network,

38 PM/soot detection Smart sensing A new layout of the SiC-FET sensors with a In collaboration with Prof. Andreas Schütze, suspended external gate is realized by LTCC Saarland University, smart sensor operation of packaging in a collaboration with University of SiC-FETs and advanced data evaluation are Oulu. The new device was successfully developed. Cycling of the operation demonstrated for soot/PM sensing at Ford in temperature and applied gate bias together Dearborn, USA. with smart data evaluation improves largely the information from SiC sensors. Quantification of NO and NO in a (varying) mixture of synthetic Graphene sensors 2 exhaust is demonstrated. Christian Bur finished Monolayer graphene, epitaxially grown on SiC his PhD exam in the project at both Saarland in the group of Prof Rositza Yakimova, IFM/ and Linköping Universities April 24 in the SM, was characterized for gas sensing and research school DocMASE. Manuel Bastuck showed ultra-low detection limit, less than 10 was enrolled as new PhD student in the project ppb of NO . Decoration by metal or metal oxide 2 in November 2015. nanoparticles (e.g. TiO2) through plasma deposition processing in the group of Prof Ulf Helmersson (grant from CeNano) enabled ultra-low detection limits of formaldehyde and benzene. Particle size contributes to selectivity.

Envisioned sensor of functionalized graphene hybrids on SiC, for selective detection in gas and liquid phase [from Eriksson et al., Proc. ICSCRM 2015]. Linear discriminant analysis (LDA) scatter Monolayers for sensing plot showing the discrimination of benzene, A monolayer of iron oxide, processed at KTH, naphthalene, and formaldehyde at low ppb concentrations, above and below the legal Stockholm, on top of porous Pt in a SiC- SiO2 capacitor increased the catalytic activity for the threshold values [from Bur et al., Sensors and Actuators B 214 (2015) 225-233]. CO to CO2 oxidation reaction. The CO gas sensing showed an optimum at 40°C lower temperature due to the monolayer of iron oxide, Voc detection at low ppb levels which was stable during 200 hours of Metal/metal-oxide materials were developed operation. and used as sensing layers for the gate contact of our gas sensitive SiC-FETs. The sensors were

39 operated in static and dynamic operation modes to study sensitivity, selectivity, and stability. A combination of iridium on top of a

dense thin film of tungsten trioxide (Ir/WO3) showed a high sensitivity to benzene and formaldehyde, and an improved selectivity to naphthalene.

The successful operation of a SiC FET sensor at 600°C >2000 h without materials degradation.

Nox sensing SenSiC AB is coordinating an FFI project (Fordonsstrategisk Forskning och Innovation) where Applied Sensor Science and Chalmers Sensor response to 10-100 ppb benzene (C6H6). Operation at linear and saturation regions of together with industrial partners AB VOLVO and SCANIA develop an NOx sensor for after Ir/WO3 SiC-FET [from Puglisi et al., Proc. ICSCRM 2015]. treatment of diesel engine exhausts. Perovskite

(e.g. SrTiO3) sensing layers improves the selectivity to NO . Sensing on Venus x In the KAW project, Working on Venus, coordinated by KTH, Stockholm, we develop FunMat electronics and sensors for the environment on In VINNOVA VINN Excellence Center FunMat, presented elsewhere, we run projects Venus; 460°C in 96% CO2, 3.5% N2, 0.5% H2O with industry (Ford Motor Company, and trace amounts of H2SO4, HCl and HF at 92 bar! While silicon based electronics only Graphensic AB, SenSiC AB, Volvo Car), on

functioned for a short time in this atmosphere, contacts and sensing layers for O2, NO/ NO2,

SiC is a potentially suitable material for SO2, H2S, and PM. electronics and sensors in this environment.

40 Biomolecular and Organic Electronics Staff polyelectrolytes incorporated into liposomes, • Professors: Olle Inganäs, Fengling Zhang and used to form contacts to a live biological • Associate professor: docent Niclas Solin, cell, an egg cell from frogs, modified for Feng Gao electrophysiological recordings. This new mode • Visiting scientists: Shimelis Admassie of creating electronic contacts to active (April-Sept ), Luis Ever Aguirre (Feb-March), biomolecular structures in living cells has great Yongxi Li (December) potential for the future of bioelectronics. • Postdocs: Mingtao Lu(-Feb), Ting Yang- We develop biopolymer based polymer Nilsson(-May), Michal Wagner(-June), electrodes, where an electronic polymer is Chiara Musumeci, Wanzhu Cai , Liangqi storing charge in a modified biopolymer lignin Ouyang, Zaifei Ma, Luis Ever Aguirre (Sept-) carrying quinone groups. A review paper on • Graduate students: Anders Elfwing , the first generation of these biopolymer Fredrik Bäcklund (-October), Jonas electrodes is now in press. Synthetic lignins, as Bergqvist, Armantas Melianas, Erica Zeglio, Fatima Ajjan, Deping Qian, Yuxin Xia, models for real lignins, have been combined Daojun Wang(-June), Zhongcheng Yuan, with carbon nanotubes and polypyrrole, to Qinzhen Bian. indicate directions for making high • Research assistants: Sophie Kalldin (-Sept), performance materials. In the second Thomas Österberg (Sept-) generation materials we find combinations of • Visiting student: Tomasz Rebis, PEDOT with lignin derivatives, which have Yuming Wang improved electrochemical stability but lower • Administrators: Malin Wahlberg, charge density than the first generation of Anna Maria Uhlin polypyrrole based electrodes. We now work on • Research engineer: Zheng Tang, the third generation, where a new conjugated polymer PAAQ, with intrinsic quinone • Diploma students: Thomas Österberg, Jimmy Johansson (KTH), Tony Oraha functions, has been combined with biopolymer models in microelectrochemical studies, to Summary evaluate upper limits for charge storage in such Research in biomolecular and organic electrodes. The low conductivity in this PAAQ electronics is focused on the development of polymer can be compensated with a organic electronics for energy conversion and combination of PEDOT and PAAQ. These storage, particularly organic photovoltaics and polymer electrodes are of relevance for energy biopolymer based electrodes, and the storage in supercapacitors and secondary combination of biological macromolecules with batteries based on aqueous electrolytes, and we synthetic conjugated polymers for estimate that optimization of these materials supramolecular materials assembly. We could lead to low cost electrical storage, published 22 papers during 2015, completed 2 possibly one order of magnitude lower than for PhD theses, and made 2 patent applications. present day Li-ion batteries. We have published various ways of Biomolecular electronics influencing the self-assembly process of protein into amyloid fibrils. By employing different Interfaces between electronic polymers and agitation regimes dispersions of fibrils with biological structures is a continuing theme in different length distributions can be prepared, our experimental work. We published a study influencing properties such as fibril alignment on integration of metallic conjugated in films, as detected by variations in emission of

41 polarized light. In addition we have developed A new approach is the combination of donor self-assembly methodology where amyloid molecules and polymeric n-type acceptors, fibrils form large area ordered assemblies at the which can be blended to make well performing air-water interface. materials. The very low driving force for charge We have prepared materials where amyloid transfer in such blends still allows an efficient fibrils are used as templates for organization of formation of charge carriers. In polymer/ conjugated polymers such as PEDOT-S. By polymer blends, where efficiencies of 4% have using C-AFM the conductivity of such now been reached, great opportunities exist for structures was investigated, at a close to single improved optical absorption. fibril level. The assembly methodology has been Our ongoing project on printing with reel- extended to include hierarchically assembled to-reel methods is continuing. Module amyloid fibrils – resulting in chiral protein construction methods have been further superstructures – that can transfer optical developed, to simplify the patterning and activity from the protein structure to the achiral deposition of materials. Methods to image the conjugated polymer. photocurrent distribution on devices and modules while being produced have been Organic photovoltaics demonstrated, with the help of intermodulation techniques. Similar intermodulation New materials are continuously demonstrated techniques have been used to image the in organic photovoltaic devices, and we have distribution of the recombination current in recently studied some new materials devices, thus offering insight on the most incorporating non-fullerene acceptors. Our relevant parameter for materials optimization. present high polymer/fullerene performers deliver power conversion efficiency≈ 8 %, while these new materials elsewhere have given 9.5 % PhD dissertations efficiency. Fredrik Bäcklund defended his thesis on Studies of transient energy and charge flow “Preparation and Application of Functionalized through these structures, published in Nature Protein Fibrils” September 11. Communications this year, strongly emphasizes Jonas Bergqvist defended his thesis on the fact that these devices do not operate under “Optoelectrical Imaging Methods for Organic thermodynamic equilibrium conditions, and Photovoltaic Materials and Modules” that non-equilibrium sets very important December 17. conditions for collecting the photogenerated current. Teaching Equilibrium conditions are however used, in Teaching in the undergraduate curriculum a study of the temperature dependence of included: photovoltage and photocurrent in different • CDIO project for Engineering Physics donor/acceptor blends. This indicates that the (Building a solar simulator from scratch) energetics of charge separation is the critical • Microsystems and nanobiology (TB) determining factor, and that disorder, or • Materials and nanotechnology(TB) delocalization, offer alternative explanations for the efficiency of charge separation in such • Alternative Energy Sources and their Applications (Y) blends. • Condensed soft matter physics

42 Biosensors and Bioelectronics Collaborations: With Dr. Björn Högberg, Staff Karolinska Institute for DNA origami, Dr. • Professors: Anthony (Tony) Turner and Dzwolak in Warszaw for protein Fredrik Winquist nanostructures, Prof. Fredrik Elinder LiU for • Emeritus Professor: Ingemar Lundström electrophysiology. With Ergang Wang, • Associate Professors: Valerio Beni, Christian Müller and Mats Andersson, Edwin Jager, Martin Wing Cheung Mak, Chalmers University for polymer materials, and Ashutosh Tiwari and Lokman Uzun with Vidas Gulbenkian,Vilnius, Frederic • Managing Editor: Alice Tang-Turner Laquai, Mainz, Tom Savenije, Delft and Ivan • Postdocs: Md Ashaduzzaman, Alexandre Scheblykin, Lund for spectroscopy. With prof. Khaldi, Ali Maziz and Hirak K. Patra David Haviland, KTH for intermodulation • PhD students enrolled at LiU: Mohsen methods. With Prof. Yizheng Jin at Zhejiang Golabi, Onur Parlak, Manav Tyagi, Alina University, China for interfacial optimization of Sekretaryova and Yong Zhong solar cells. With Prof. Yingping Zou at Central • Visiting Scholars: Richard Meldau, Anis South University, China for new molecules. Nordin, Filiz Kurulay and Elie Terver With Dr. Yingxi Li at Soochow University for • Visiting PhD Students: Sawsen Azzouzi, non-fullerene organic solar cells.With Prof. Zahra Bagheryan, Deni Chan, Maryam John Reynolds at Georgia Institute of Fathollahzadeh, Usisipho Feleni, Ilgim Technology, US for solar powered smart Göktürk, Roghayeh Imani, Kamalodin Kor, windows. Yu Liu, Abolfazi Mirzapoor, Prashant Mishra, The Wallenberg Scholar fund for Olle Sachin Mishra, Adeniyi Osikoya, Erdogan Özgür, Babak Rezaei, Elham Sheikzadeh, Inganäs has been instrumental in creating Nuradawiyah Zaidon and Mykhailo Zhybak novelty. • Master students enrolled at LiU: Kalle Bunfors, Daniel Falk, Erika Johansson, Highlights Linnea Mellberg, Marjam Memarpuri and Hama Nadhom • Visiting Master students: Ravisha Bhatia, Niharika Rawat and Yuxiang Zhao • Research Administrator: Anette Andersson

Prof. Fengling Zhang and Prof. Olle Inganäs were again selected among the World’s Most Research group meeting, April 2015. Influential Scientific Minds. This is evaluated through impact from publications, as shown by General information being identified as Highly Cited Researchers in The division averaged the equivalent of 20 full- Materials Science in 2015, by Thomson Reuters, time researchers in 2015. We published 35 for their contribution to the development of journal papers, 29 conference papers, 3 book organic solar cells. chapters and 2 edited books this year (DIVA):

43 www.ep.liu.se/Biosensors/Biosensors.asp Printable electronic biosensors for The Division’s overall mission remains the metabolomics DIABETSENS creation of next generation bioelectronic VR Swedish Research Council (2016-2019) devices including distributed diagnostics for 3.5m SEK health and the environment. Key strategic This new funded project granted to Tony targets include fully-printed electrochemical Turner and Martin Mak aims to develop cost sensing systems, optical biosensors, wearable effective printed biosensors to monitor multiple sensors, mobile health, lateral-flow devices, metabolites for sensitive and reliable biomedical soft robotics, functional in vitro management of diabetes. Diabetes mellitus is a assays/chips and the creation of new major worldwide public health problem (ca. biomaterials and smart tissue scaffolds: www. 52m patients in Europe and 382m in the ifm.liu.se/biosensors World) and treatment of diabetics accounts for approximately 10% of Western European Highlights healthcare costs. There is currently no reliable Integrated Biosensor Platform cure for this disease and both prevention and management strategies rely on lifestyle and on Joint programme with Acreo Swedish ICT AB the use of diagnostics to detect and control the Mobile diagnostics for healthcare, food safety condition. This project will explore a new and environmental monitoring, demand a new bioanalytical approach using novel micro/nano- generation of inexpensive sensing systems that scaled enzyme capsule biosensors for multiple can be produced in high volume, to open up metabolite detection. The capsule-based new market niches. By combining the virtues of biosensors will be formulated into new printed biosensors and printed electronics, we biofunctionalised inks, which can be adapted have introduced a new disposable instrument for printing to create the sensing elements for range that can be fabricated on plastic or paper stable, cost-effective and high-performance sheets to create a use-and-throw instrument. printable electronic biosensors. We will further Initial proof-of-principle was achieved for the explore the concept of fully-printable amperometric detection of metabolites such as electrochemical instruments on flexible glucose, lactate and β-hydroxybutyrate, all of substrates. These will be combined with non- which are key in the management of diabetes. invasive, reverse iontophoretic sampling and With the help of our diploma students, the near-field communication for use as wearable platform is now being expanded to explore skin patches for the detection of multiple optical and potentiometric detection together analytes. The approach will pave the way for a with near-field communication with mobile range of other metabolomic sensors for phones or local area networks. improved diagnosis and management of disease.

Biosensors for chronic kidney disease IF Sensing Ltd. (2014-2016) 2.73m SEK, Following a six-month feasibility study carried out by Tony Turner, Martin Mak and Valerio Beni for IF-Sensing Ltd. (UK), which produced a working prototype, the team was one of six

44 winners of the UK’s Small Business Research This 4-year EU IRSES programme has Initiative (SBRI) competition aimed at established a consortium of leading research developing cutting-edge technology solutions to teams from EU Member States and Third help kidney patients. Chronic kidney disease countries (Ireland, Romania, Spain, Portugal, (CKD) is a hidden killer. Over 2 million people Sweden, France, Ukraine, South Africa, Egypt in the UK suffer from CKD and the number is and Tunisia) working in the areas of micro/nano growing. It is estimated that more than another sensors for early cancer warning systems. This million individuals have kidney damage year, Usisipho Feleni (University of the Western (without knowing) in the UK alone. Our work is Cape, South Africa) completed her work here on focussed on early detection, and subsequent electrochemical biosensors exploiting quatum monitoring, of chronic kidney disease with dots in combination with Cytochrome P450, for simple, easy-to-use devices that can painlessly ultra-sensitive detection of Tamoxifen in order to acquire and anlyse a sample in decentralised improve breast cancer treatment. Mykhailo locations and in the home. Zhybak (National Academy of Sciences of www.ifsensing.com Ukraine) also completed his work on urea and creatinine biosensors based on novel Cu/Nafion/ Lateral flow tests for rapid, cost effective PANI nanocomposites. Deni Chan, also from and sensitive detection of micro-RNA NAS in the Ukraine, initiated work on sensors Micro-RNAs (miRNAs) are a class of for formaldehyde as a cancer marker. Finally, noncoding RNA molecules, of length between Azzouzi Sawsen (Sousse, Tunisia) worked on an 17 and 25 nucleotides, encoded in the genomes impedimetric affinity biosensor based on a of plants and animals. miRNA are involved, structurally responsive biotin-MB-AuNP upon binding with messenger RNA, in a series conjugate for the detection of miRNA-21 an of important living process, including early early warning system. The final dissemination development, cell proliferation, cell apoptosis, event of this action will be held in Gothenburg fat metabolism and cell differentiation. Martin next year following the World Congress on Mak and Valerio. Beni, together with our visitor Biosensors. Kamalodin Kor (Damghan University, Iran), have developed a lateral-flow strip test for Pathoscreen simple, rapid and specific detection of VR international cooperation grant, (2014- miRNA-21 based on an advanced generic single 2016), 630k SEK probe assay design approach using structure In collaboration with the Istanbul Kemerburgaz responsive biotin- oligonucleotide -AuNPs University (Turkey), we are developing biolabels. The response of the test is linear over electrochemical aptamer-based biosensors for the range of 0.5 to 20 nM of miRNA with a cut- the detection of pathogens (i.e. S. typhimurium off detection limit of 0.5 nM and high specificity and E. coli) in food and environmental samples over other miRNAs (miRNA-221 and using amperometric and impedance-based miRNA-205). The strip tests were used for sensors. Two sensor configurations for detection of miRNA-21 in spiked serum sample Salmonella, based on impedance with showing a great potential of the strip test for diazonium chemistry for the immobilisation, point-of-care clinical applications. and another using a PPy based surface, were successfully evaluated. The former gave excellent results when tested on apple juice. We are currently working on the selection of an aptamer for E.coli, since previously reported aptamers proved disappointing for this application in our hands. The programme is EU FP7 Smartcancersens expected to be complete by the end of 2016 with sensors being tested on real samples by our PirsesGA-2012–318053 (2013-2016) partners in Turkey.

45 Dengue Screen: Point-of-care µTAS for lenses show effective anti-HSV-1 activity and sensitive and rapid detection of dengue good analytical performance for the detection of VR - international cooperation grant, (2015- IL-1α with a wide linear range covering the 2018), 675 kSEK clinically relevant region. This work offers a new This VR project support a bilateral paradigm for ”wearable” non-invasive healthcare international collaboration between Martin devices combining ”diagnosis” and ”protection” Mak (LiU, Sweden) and Anis Nordin against disease, while supporting patient (International Islamic University - IIUM, compliance. We believe that this approach holds Malaysia) to develop new and inexpensive immense promise as a next-generation point-of- biosensors for cost effective management and care device and paves the way for the control of dengue in low and middle income development of non-invasive, wearable countries. This year, Nuradawiyah Zaidon from biosensors for decentralised diagnostic/ IIUM visited LiU to work on the design and theranostic platforms for a range of applications. fabrication of the biosensor microfluidic chips. A Sweden-Malaysia Symposium was held at Malaysia between 21st-23rd Sept 2015 to promote biosensor research activities between Sweden and Malaysia.

Polypyrrole-based biosensors Valerio Beni and Edwin Jager continued to explore the use of polypyrrole for the Polypyrrole microparticles for direct development of novel chemi- and bio-sensors. fabrication of hierarchical-structured Using functional dopants and/or modified electrochemical interfaces pyrrole monomers, Mohsen Golabi and Elham Sheikhzadeh were successful in modulating the Hierarchically-structured materials (HSMs) are adhesion of bacteria to surfaces for the becoming increasingly important in catalysis, development of bacterial biosensors. Similar separation and energy applications, due to their modified polypyrrole-based functionalised advantageous diffusion and flux properties. surfaces were developed for a highly specific Martin Mak, Mikhail Vagin and Edwin Jager chemical sensor for dopamine. have developed a facile modular approach to fabricate HSMs with tailored functional Theranostic contact lens for modulation and conducting polypyrrole microparticles. They detection of viral infection have demonstrated the versatility of this technique by creating two different hierarchical This interdisciplinary project brings together our structured electrochemical interfaces for work on wearable biosensors for non-invasive hydrogen peroxide electrocatalysis and for ocular diagnostics with IGEN’s research on mediated bioelectrocatalysis. We envision that cornea regenerative medicine, to counter this synthesis method can be extended to other infection-associated cornea transplant rejection. conducting polymers, as well as other functional Martin Mak, Tony Turner, May Griffith et al. organic and inorganic dopants for the have reported an entirely new concept of a development of new printable bio/electronics theranostic contact lens with a dual functional devices. hybrid surface to modulate and detect a pathogenic attack by corneal HSV-1. The Nanofibres for tissue engineering, affinity theranostic lenses were constructed using a facile depletion and biosensor applications Layer-by-Layer (LbL) surface engineering (MIFs4BioMed) PIEF-GA-2013-629251 technique, which allowed the theranostic lenses to retain good surface wettability and optically (2014-2016), 2.6m SEK transparency while being non-toxic towards In the first year of this new project, prior to human corneal epithelial cells. The theranostic production of molecularly imprinted 46 electrospun nanofibres, we have optimised the capabilities into artificial surfaces. We also electrospinning conditions while evaluating demonstrated how this strategy might be used solubility parameters, solvent ratios, flowrate for constructing supramolecular assemblies as and crosslinkers by using a commercial polymer recognition elements in biosensing platforms. (Mw 300,000) as well as an in-house The results indicate that this approach is a synthesised one. In addition, we have evaluated simple, easy-to-use, reproducible, reusable and the effect of the crosslinking process to inexpensive way to develop a sensing platform. improve/adjust solubility of the nanofibres obtained through two different crosslinking approaches, in-situ and post-spinning. The results indicated that crosslinking increased structural stability due to decreasing dissolution rate in water; but we should improve this feature more in order to develop electrospun nanofibres for chromatographic and controlled drug release studies.

Schematic showing: a) synthesis of functional monomer, and b) creation of porous polymeric network. -1- Self-assembling of cysteine based monomer and introduction of monomer solution, -2- thermal polymerisation to create porous structure with imidazole (histidine) functionalities, -3- Cu(II) chelation onto Optimisation of electrospinning parametres for imidazole ring, and -4- human imprinted nanofibres: a) Optical, b) atomic immunoglobulin orientation to form force, c) scanning electron microscopy images, supramolecular assembly. The imidazole ring is d) structural improvement after vapour-phase mainly responsible for chelating Cu(II) ions crosslinking in a vacuum chamber. while water molecules complete the coordination vacancies of Cu(II) ions, which are replaced Biohybrid Polymer Sensor Interfaces with protein molecules during the Biological elements such as amino acids, supramolecular assembly formation. nucleotides and monosaccharides, play a major role in biorecognition of biological molecules. Cell microencapsulation and monitoring: a Sometimes, a single change in sequence results step towards cell therapy in completely different biorecognition abilities. Delivery of stem cells to target tissue to achieve Histidine especially, as one of the more active tissue regeneration is challenging. Stem-cell functional amino acids, has a role in metal ion microencapsulation provides a new strategy by coordination and intermolecular creating a semi-permeable container between communications. Inspired by this knowledge, the encapsulated cells and the environment, we focused our attention on developing which may improve the efficiency of cell biohybrid polymer-sensor interfaces through delivery to the target tissue. In parallel, supramolecular assembling of bioelements. We monitoring of the encapsulated cells inside the synthesised polymerisable histidine derivatives microcapsule environment is important to to directly insert them into a porous polymeric optimise the microcapsule construct design and network and to integrate their biorecognition therapeutic efficacy. We have initiated a

47 collaboration with IGEN on integrated stem- functional nanomaterials to improve electrical cell encapsulation and monitoring for tracking interfacing between biological system and the well-being of the encapsulated stem cells for electronics and also the generation of a dynamic cell therapy. We have recruited two diploma interface having the ability to respond to real- students, Diana Atanasova and Maike life physical and chemical changes. The Bensberg, from the LiU medical school who are development of such a dynamic interface jointly supervised by May Griffith and Martin facilitates studies of how living systems probe Mak to develop encapsulation techniques based and respond to their changing environment and on hydrogel materials and to perform cell also helps to control and modulate bio- monitoring within microcapsules. Recently, we molecular interactions in a confined space have developed a temperature responsive using external physical and chemical stimuli. microcapsule for controlled delivery and release of human stem cells. In future, we will continue Smart scaffolds for cardiac regeneration the work on monitoring of stem cells within IGEN (2012-2015) 800k SEK microcapsules, and to perform in vivo studies of Engineered smart scaffolds are an interesting the stem-cell capsules with animal models for alternative to deliver stem cells. In this IGEN- regeneration medicine. funded project we developed smart scaffolds for cardiac regeneration and improved stem cell differentiation. Employing a novel synthesis protocol developed in the project by IGEN- fellow Amy Gelmi, we developed electroactive scaffolds that were shown to be biocompatible with a variety of cells, including cardiac progenitor cells and induced pluripotent stem cells. In collaboration with Marek Los and Artur Cieslar-Pobuda (HU), we investigated the effects of electro-mechanical stimulation on Switchable bioelectronics stem cell differentiation into cardio-myocytes. VR (2012-2016) 4m SEK Our VR-funded PhD student, Onur Parlak, Mechanostimulation of osteoblasts successfully defended his disertation entitled LIST (2013-2015) 240k SEK “Interfacing Nanomaterials for Bioelectronic We continue our collaboration in the area of Applications” on 7 September 2015. His thesis bone mechanobiology with Anna Fahlgren (IKE, contained 8 papers and he published a further 3 LiU) and the Academic Centre for Dentistry papers and a book review during his studies Amsterdam (ACTA) in the Netherlands. We have here. He has won a prestigious KAW Postdoc investigated the effect of a variety of our Fellowship to continue his research at Stanford mechanoactive polymers on the viability of in the USA. human primary osteoblasts, which proved to be His work has focused on both the integration of as good as standard materials. Now we are using our mechanoactive materials with osteocytes.

Mechanotransduction in micturition studied using micromechanical stimulation chips VR-MH 2014-3079 (2015-2018) 4.8M SEK In this collaboration project with Dr Karl Svennersten and Dr Katarina Hallén Grufman MD, at the Karolinska Institute, we are studying mechanotransduction in the urinary tract using our unique mechanostimulation

48 chip-technology. We have shown that T24 currently being fabricated. Edwin Jager’s urothelial cells proliferate on the collaboration with the University of Wollongong mechanostimulation chips and that the chips (Australia) continues through this project and can actively evoke Ca2+ signalling also in the his visiting senior scientist position. We also T24 urothelial cells. Ali Maziz has designed a continued our longstanding collaboration and new mechano-stimulation chip that will be exchanges with University of Dundee (UK). MSc employed in further, more detailed studies. exchange student Yuxiang Zhao developed a mobile interface to control the soft actuators.

Marie Sklodowska Curie Action Innovative Training Network MICACT (2015-2018) 527k EUR The MSCA Innovative Training Network MICACT in the area of electroactive polymer microactuators officially started with a kick-off meeting in Tallinn, Estonia, in June 2015. We have recruited 2 PhD students, Yong Zhong and Manav Tyagi; Yong is developing patternable electrolytes for microactuators, while Manav is Fluorescence microscopy is used to follow intra- working on novel microfabrication methods for cellular Ca2+ signalling in real time. Inset: the soft microactuators. mechanostimulation chip with the seeded cells is mounted in a standard cell culture dish under Soft actuators for microfluidics the objective of the microscope and simply Maryam Fathollahzadeh developed soft addressed using an external PC controlled actuators for microfluidics. Using the power source. electroactive polymer polypyrrole, we were able to microfabricate actuators as valves and gates Linear polymer fibre actuators for microfluidic applications. Carl Trygger Foundation (2013-2015) 535k SEK We continue our development of novel fibre- based linear actuators for soft robotic Teaching applications. Ali Maziz developed new CP The Divison runs key courses in the area of based fibres employing both vapour-phase and biosensors including: Introduction to Biosensor liquid-phase electrochemical synthesis. The Technology (TFYA62), for 2nd year students of fibre actuators showed excellent electro- the Biomedical Engineering bachelor degree, mechanical performance. and Biosensor Technology (TFTB34). The Centre also continued teaching at PhD level. Soft Microrobotics Valerio Beni and Mikhail Vagin designed and ran a new course in Applied Electrochemistry POLYACT Marie Curie Fellowship (2014-2016) and Ashutosh Tiwari delivered two courses: 198k EUR Bioengineered Nanomaterials and Smart In the POLYACT project we are developing soft Materials and Methods. Six more LiU students microrobotics based on conducting polymer completed their Diplomas with us along with 4 actuators for biomedicine. Marie Curie Fellow visiting Masters’ students. Our team also Alexandre Khaldi and MSc student Daniel Falk delivered a number of other lectures on other have developed a novel patterning method that courses and received excellent feedback. Edwin allows us to fabricate polymer trilayer actuators Jager supervised group projects for CDIO that can operate in air and can be individually courses: “Medicinsk Teknik” TBMT41 and addressed. Novel devices for soft sample “ingenjörsprojekt” TFYY51. manipulation have been designed and are

49 Biotechnology STAFF In the area of soft sensors the focus is on • Professors: Carl-Fredrik Mandenius (Head of controlling industrial bio-manufacturing division), Johan Hyllner (adjunct), Gunnar processes in order to enhance productivity and Hörnsten (adjunct) production economy. The soft sensors combine • Associate professor: Danny van Noort sensor signals from robust on-line sensors with • Research engineer/Lab manager: mathematical models. This generate Robert Gustavsson information which allow faster process evaluation, decision-making and control • PhD students: Gunnar Bergström, Jonas Cristoffersson, Inga Gerlach, Robert actions. These potential improvements with Gustavsson, Judit Randek, Patricia Roch soft sensors can be applied to a wide range of • Master project students: Micael Karlberg, industrial processes, such production of insulin, Patrik Ekenberg, Dagh Bunnstad, Wang, Ave therapeutic antibodies, bioethanol and Kuusk therapeutic cells. Also here we collaborate • Administration: Susanne Andersson directly with several industrial partners. Efficient controlling of production of cell therapy products for treatment a variety of Summary of activities diseases is a critical enabling technology for successful exploitation of stem cells and derived The Division of Biotechnology conducts cells. Bioreactors seem to be the key unit for research in engineering biology with focus on this production. Thus, reliable monitoring industrial biotechnology. During 2015 our methods are key to such manufacturing research projects have included the following processes. We are looking at using real time areas and topics: (1) design of organ-on-a-chip optical methods that can provide this growing and other microfluidic devices for drug industry with the best opportunity to manage development and toxicological testing, (2) with clinically safe production. In collaboration development of soft sensors for monitoring and with the Cell Therapy Catapult in the UK pilot control of biological processes, (3) development studies are performed to enhance such of production systems for cell therapy, (4) new techniques. methodology for conceptual design of The division continues the successful biotechnological products and processes, (5) research activities on conceptual design. The design and implementation of training methodology provides efficient methods and simulators for engineering education and tools for the design of technical systems that process operators. merge biological, mechanical and electric In the area of organ-on-a-chip we focus on components. heart, liver and brain models. The aim is to We have also continued our research on mimic these organs in microfluidic devices in training simulators for education and 3D in vivo-like microstructures where cells or engineering training. tissues are exposed to drug compounds and The division is active in the LiTH toxicants. The main purpose is to provide drug programmes Engineering Biology and companies with more efficient and reliable tools Chemical Biology by providing courses in for assessment of efficacy and safety of new drug Industrial Biotechnology (TFYA32), compounds. We therefore collaborate close with Bioproduct and Bioprocess Design (TFTB32), R&Ds of several European pharmaceutical Biomanufacturing (TFTB39) and supervising companies. master projects in industrial biotechnology.

50 During 2015 the division has also supported effective and safer drugs. Organ-on-a-Chip development of engineering education through assays are one of the key methods applied in the the faculty’s pedagogical development group project. (PUG), especially concerning a study on In another related project we investigate industrial requirements on engineers. together with the group of Dr Nate Robinson at IFM alternative Lab-on-a-Chip design concepts PhD theses 2015 for toxicity assaying aiming at reducing animal testing. Gunnar Bergström: Microfluidic biosensor The figure below shows a new microfluidic systems for cardiotoxicity assaying design we have created where iPSC derived Inga Gerlach: Operator Training Simulators human cardiomyocytes in beating clusters towards Industrial Biotechnology (cardic bodies) are maintained in the chip and monitored by microscopic imaging. The bodies Highlights are exposed to drug molecules and effect of the Organ-on-a-Chip for in vitro testing drug on the beating frequency is monitored The concept of organ-on-a-chip is today over extended time (Bergström et al, 2015). recognised as a key enabling technology for efficient assessment of pharmaceutical molecules and suspected toxicants on human organs. From a pharmaceutical development perspective this may provide new opportunities for acquiring data years earlier on effects of new drug candidates on humans. This may be related both to efficacy of new drug candidates as well as adverse effects related the safety of the patients. For toxicity testing of chemicals it’s a new approach for generating data on new consumer products before their launch on the market. The challenges with the organ-on-a- Fig. 1: An organ-on-a-chip with cardiac bodies chip concept is to reconstruct in vivo-like derived from induced pluripotent stem cells conditions in the microfluidic systems, especially with respect to the three- Soft sensors for bioprocess monitoring and dimensionality of the organ-tissue structure, control the intra- and extracellular fluidic constraints Soft sensors are robust on-line sensors and the observability of changes in the cellular supported by mathematical models derived state. from the bioprocess systems to be monitored In StemBANCC (www.stembancc.org), an and controlled. The soft sensors are useful for IMI-EU project with 40 partners from the bioprocess monitoring due to the complexity of European pharmaceutical industry and the biological mechanisms of the producing academia, we tailor Organ-on-a-Chip devices cells. Soft sensors have the potential to for monitoring of patient-specific cells derived significantly facilitate the efficiency of from induced pluripotent stem cells. biotechnology processes from small-scale In the project up to 600 induced pluripotent production such as pluripotent stem cells and stem (iPS) cell lines are under development that therapeutic cells to large-scale will allow studies on a range of diseases, biopharmaceutical production and including diabetes and dementia, in particular manufacturing in bio-refineries (Gustavsson efficacy and safety of new drugs under and Mandenius, J Chem Technol development. The cell lines will help to improve Biotechnology, 2015). and speed up the drug development process, During 2015 we have presented a new approach and ensure that patients benefit from more of monitoring overflow metabolism in a soft

51 sensor where the specific carbon dioxide the establishment of cell banks for production evolution has been estimated from a gas that meet regulatory legislation and Good analyser and cell density probe (Gustavsson et Manufacturing Practice of cells (Berry et al, al, 2015). The study shows how a recombinant 2015) but also advancing the understanding of protein production process can be stabilised by the clinical trial process and its impacts on the the soft sensor control and these established commercial development (Bisson et al, 2015). measurement techniques can provide These opportunities and aspects were biotechnology industry with a new way of discussed at an advanced forum meeting at The controlling bio-manufacturing. Royal Society in London organised by Prof. A new EU Marie Curie project (ITN) on Hyllner and colleagues (Hyllner, Mason, accelerating bioprocess development has Wilmut, 2015). started in collaboration with five European biotech companies and three other academic partners (Denmark University of Technology, Technische Universität Berlin and University of Newcastle). The Division will supervise two PhD students in the project and focus is on soft sensor development (www.bio-rapid.eu).

Opportunities for manufacturing of cell therapy products

Conceptual design methodology - Fig. 2: Principle of a soft sensor for bioprocess Biomechatronics control based on the carbon dioxide flux. We have for a period of years develop what we call Biomechatronics, a conceptual design Production systems for of cell therapy methodology for biotechnology products in applications collaboration with IEI (Prof. Mats Björkman). Prof. Hyllner and his team develop systems for The original idea, that biological functions the production of cell therapy products. A should have a unique role in the design of number of scientific and technological issues mechatronic products and processes, such as are addressed that are of fundamental biosensors, microsystems, medical devices, importance for realising the necessary process equipment and whole manufacturing conditions required in the bio-manufacture of processes, is new in design science. In one book cell therapy products. The understand of (Mandenius, Björkman, Biomechatronic manufacturing solutions for a variety of cell design, Wiley, 2011) and several research therapy products, either derived from papers we have theoretically developed our pluripotent cell sources or other cells are of approach and shown its applicability. utmost impartance for the successful During 2015 we have applied development of this branch of industrial biomechatronics to the design of operator biotechnology. The scheme shown below training simulator tools (see also below). The overview the possibilities for scale out and scale basic prerequisites for the design seen form the up of cell technologies. Both the scale of user’s perspective were taken as the decisive production and the cell-technology type have a constraints for developing design configuration significant impact on the production processes alternatives. The figure below shows how key (Mount et al, 2015). Other key issues include functional elements of the OTS interacts with

52 the training in a large scale bio-refinery plant. The work exemplifies how theoretically founded knowledge can be directly transferred to industrial environments improving conceptual understanding and stimulating the search for new and better alternatives in product development and in manufacturing processes (Gerlach et al, Processes, 2015).

Fig. 4: The graphical user interface for a bio- refinery plant producing ethanol

COLLABORATIONS Lantmännen Reppe AB, Lidköping Wolfram MathCore AB, Linköping, Iggesunds Bruk, Iggesund

Agroetanol AB, Norrköping, Fig. 3: Conceptual design methodology used Hoffmann-LaRoche, Basel (CH) plant training Janssen Pharmaceuticals (BE) Novo Nordisk A/S (DK) Operator training simulators for engineering University College London (UK) education and training Newcastle University (UK) Operator Training Simulators (OTS) are virtual Fujifilm Diosynth Ltd (UK) simulation tools based on mathematical models. Sanofi-Aventis AG, Frankfurt (D) They allow training of engineering student and Oxford University (UK) operators in industry. Previous years we have tested OTS on our own bioengineering students in collaboration with Prof. Volker Hass, HS Bremen (PUG project). During 2015 we used the OTS for the third year in two of our courses in the TB/KB master program, now with refined models and software. We could notice favourable effect on improving understanding and efficiency in bioengineering student training by using the OTS. Through a grant from Lantmännens Forskningsstiftelse we have during 2015 taken the OTS technique further to a large-scale plant in Sweden for bio-ethanol production (Reppe). This huge work, comprising modelling of several of the unit operations of the plant, resulted in a plant-wide OTS now in use for training plant personnel. By that, we have been able to transfer the OTS technology from the academic training environment to industrial practice at a Swedish bio-refinery company, providing industry with state-of-the-art engineering biology tools.

53 Chemical and Optical Sensor Systems Staff devices (CEDs) and microfabrication methods • Professors: Daniel Filippini, Helen for disposable optics and fluidics. Dannetun (Rector at Linköping University) In 2015, Filippini’s group demonstrated an • Associate professors: Mats Eriksson autonomous disposable lab-on-a-chip (LOC) system, entirely 3D printed, including optics • Assistant professor: Stefan Welin Klintström (head of the division) for readout, fluidics, and an integrated pump (G. Comina, A. Suska, D. Filippini, Angewandte • Researcher: Dr Anke Suska Chemie 2015, 54, 8708–8712). The device has • Research engineer: Hans Sundgren capacity to transmit data wireless to cell phones • Administrative staff: Anna Maria Uhlin for patient or individual evaluation. It also • Post doc: Mikhail Vagin integrates a calibration range for quantitative • PhD students: Roger Klingvall, Alina detection of glucose. Sekretarova, German Comina The concept built on the unibody-LOC (ULOC) fast prototyping method, previously General information demonstrated by the group for microfluidics, The research within the Division of Chemical now extends to a configuration of 3D printed and Optical Sensor Systems (CheOpS) is optical components of arbitrary geometry. multidisciplinary. The projects are often conducted in collaboration with other divisions within three of the scientific branches at IFM: Applied Physics, Material Science and Chemistry. Many projects are run in cooperation with external collaborators. The division is hosting Forum Scientium, a multidisciplinary doctoral student programme under the direction of Dr Stefan Klintström. See more under “Graduate education”. The division also participates in the VINNOVA-funded Forum Securitatis, a graduate school in security research. The research groups within the Division of Chemical and Optical Sensor Systems are led by: • Prof. Daniel Filippini • Assoc. prof. Mats Eriksson Autonomous disposable unibody-LOC fabricated using consumer grade SLA 3D Research group Daniel Filippini printers. The device integrates a finger pump, Optical Devices Lab optical coupler and a calibration range for Daniel Filippini’s group works on optical and quantitative detection of glucose using diverse chemical sensing methods and devices. One cell phone models (G. Comina, A. Suska, D. important area of the group’s activity is on Filippini, Angewandte Chemie 2015, 54, 8708– physically interfacing chemical sensing 8712) techniques to operate on consumer electronic

54 The simplification of microfabrication techniques used for lab-on-a-chip (LOC) development is central to accelerate optimization cycles and to disentangle design from cost constraints. Thus, device architectures could be explored and evolved with unprecedented freedom. ULOCs are designed around a single monolithic 3D printout (unibody), and typical designs can be A. mediated electron transfer (MET) of the produced in 20 min, at an average cost of 0.5 enzyme laccase, used as a building block in a US$. biosensor for detection of phenols in wastewater. Oxidation of catechol (Cat) to benzoquinone Research group Mats Eriksson (BQ) by the enzyme and its recycling on the Chemical sensor systems group electrode is illustrated. This is a research group within bio- and B. The use of microband electrodes led to chemical sensor science and technology. improved electron transfer rates and to an Eriksson is also a member of the management improved sensitivity of the biosensor, which group of Security Link, a strategic research area allowed water analysis without any pre- at LiU on technology and methodology for civil treatment of the water sample. (A. N. security applications. Sekretaryova, A. V. Volkov, I. V. Zozoulenko, A. The group participates in the large VINNOVA Turner, M.Y. Vagin, M. Eriksson, Analytica funded project ”Online sensor system for Chimica Acta 907 (2016) 45-53) resource-efficient water management (Sensation III)”, with 28 partners from universities, research institutes and industry. The role of the Eriksson group is to provide ”electronic tongues and noses” for online water monitoring in field tests, in particular for detection of microbial contaminations and petroleum products. In addition, the group is running a VINNOVA project on the commercial potential of the electronic tongue for drinking water applications. Alina Sekretaryova is a PhD student in the group working on electron transfer in bioelectrocatalytic systems and on applications of such systems for biosensors. She will defend her PhD thesis during 2016. One research highlight from her work in 2015 is illustrated in the figure below.

55 Complex Materials and Devices

• Professor: Martijn Kemerink (Head of high-sensitivity electrical characterization of division) devices in controlled ambient at variable • PhD students: Hassan Abdalla, Nikolaos temperature (4-475 K). This includes a high- Felekidis, Olof Andersson, Guangzheng Zuo vacuum low-temperature probe station, a • Research assistant: Indre Urbanaviciute N2-filled glove box and an ambient probe • Administrative staff: Anna Maria Uhlin station as well as DC and AC source-measure units, etc. For device fabrication, facilities General within IFM (device & rubber lab) and within The division of Complex Materials and Devices the Biomolecular and Organic Electronics (CoMaDe) was initiated January 2014 as part of group are used. the division Cheops and became an independent division mid-2015. At present we Research Highlights have six full-time members, a seventh coming Despite being in a build-up phase, several in March 2016 and one opening for a post-doc projects have already given results that have to be filled by the end of the year. been or will be published and presented at Our research focusses on innovative device international conferences. Here, we briefly concepts which are made possible by the describe two of these results. specific properties of the active material(s) from i) ‘Open circuit voltage and efficiency in which they are built. The main functionality in ternary organic photovoltaic blends’, N. which we are interested is the conversion of Felekidis et al., Energy Environmental Science sustainable sources of energy, especially (2014 impact factor 20.523) DOI: 10.1039/ sunlight or heat, into electricity. The devices C5EE03095A. employed for this range from organic One of the strategies that has been proposed photovoltaic solar cells to thermoelectric to push the current ~10% power conversion generators and ratchets. In addition, we work efficiency (PCE) limit of organic solar cells on materials and devices for data storage based further upward is the use of so-called ternary on organic ferroelectrics. blends in which two instead of one absorbing In the materials and devices of our interest donor material is blended with an electron typically many different length and energy acceptor. Systematic improvement of PCE by scales play a role, starting at nanometers and ternary blending has been reported. Despite millivolts and ranging to more tangible sizes the experimental success, the understanding of and energies. Phenomena at different scales are both the PCE enhancement and the underlying typically related and often properties at some puzzling tunability of the open circuit voltage small scale give rise to beautiful and unexpected Voc was limited and essentially qualitative. In emergent behavior at larger scales. The this project we developed a quantitative and outcome of this interplay is the device predictive framework for both Voc and PCE of functionality. The complexity gives many ternary organic solar cells, which allowed us to opportunities to create and optimize device propose design rules. In contrast to accepted functionality, but also forms a rich and wisdom, we demonstrated that PCE rewarding playground for fundamental science. enhancement in ternary blends hardly results The active materials we work with are mainly from optimizing the overlap with the solar organic semiconductors. spectrum but predominantly from synergetic The group has a dedicated infrastructure for improvement of the charge transport and

56 recombination kinetics. We share the hope of limiting behavior. The experimentally observed one of the manuscript’s reviewers that our work scaling behavior can be reproduced by a ‘will have a large impact on the organic numerical nearest-neighbor hopping model, photovoltaics community’. accounting for the Coulomb interaction, the high charge carrier concentration and the energetic disorder. The underlying physics can be captured in a simple empirical model, describing the effective temperature of the charge carrier distribution as the outcome of a heat balance between Joule heating and (effective) temperature-dependent energy loss to the lattice.

(a) Optimal fraction of Donor 1 and (b) Funding associated PCE for different HOMO level A research proposal to VR (projektbidrag, combinations in a ternary organic solar cell. ‘Organic ferroelectric semiconductors’) got Small ternary regions are indicated by dashed granted. ellipses.

ii) ‘Effective Temperature and Universal Teaching Conductivity Scaling in Organic Two PhD-courses have been given, ‘Scanning Semiconductors’, H. Adballa et al., Scientific Probe Microscopy’ (shared) and ‘Advanced Reports (2014 impact factor 5.578) DOI: Organic Electronics’. 10.1038/srep16870. Many recent studies on highly conductive Conferences organic semiconductors, which do not only During the year the members of the division measure the Ohmic conductivity but also the have participated in several international non-Ohmic conductivity obtained at increased conferences and other events with invited talks, electric fields, reveal a curious pattern: the posters and oral presentations. Ohmic conductivity has a power law temperature dependence, and rescaling the current and voltage using this power law collapses the data on a universal curve. The underlying mechanism has been heavily debated. We investigated the scalability of the temperature- and electric field-dependence of the conductivity of disordered organic semiconductors to ‘universal’ curves by two different but commonly employed methods; by so-called universal scaling and by using the effective temperature concept. Both methods were shown to be equivalent in terms of functional dependence and to have identical

57 Molecular Physics Staff • Professor: Bo Liedberg (on leave). • Associate professors: Thomas Ederth (head of division), Karin Enander, Daniel Aili. • Assistant professors: Jaywant Phopase, Johan Hurtig (on leave). • Post-docs: Ana Villamil Giraldo, Staffan Dånmark, Sushanth Gudlur (co-financed with Sofia Ramström, IKE), Erik Martinsson, Robert Selegård, Jing Jin. • PhD students: Feng-I Tai, Abeni Wickham, Wetra Yandi, Christopher Aronsson, Camilla Sandén, Mohammad Javad Jafari, Ranjithkumar Ravichandran, Petter Sivlér (Industry PhD student, S2Medical AB), Béla Nagy, Mårten Skog, Zeinab Rouhbakhsh (guest, Mashhad University, Iran). • Administrative and technical staff: Karina Malmström, Therese Lindkvist, Jörgen Bengtsson.

Summary We use and develop concepts and tools from (a) Experimental data of temperature and physics and chemistry to solve problems of electric field dependent conductivity of biological and biomedical relevance, and the PEDOT:PSS and (b) same data rescaled to show activities span from basic to applied research, universal scaling behavior. In the inset the same following three parallel and partly overlapping behavior is reproduced by both a kinetic Monte research lines: Carlo model (small symbols) and an analytical - Protein interactions with molecules or heat balance model (large symbols). surfaces for recognition, protein resistance or bioadhesion. Research Exchanges - Biosensor and bioassay development including research on novel synthetic receptors, Maria Gieysztor, Erasmus exchange student surface chemistries and transducer from Poland, on thermoelectric properties of technologies. disordered materials. - Development of soft (supramolecular) Indre Urbanaviciute spent a two-month biomaterials and biofunctional interfaces for research visit at the Eindhoven University of regenerative medicine, tissue engineering, drug Technology to work on organic ferroelectric delivery and antifouling. materials. This research is based on methods in surface chemistry, nanoscience, molecular self- assembly, protein and polymer science, and

58 surface spectroscopy. A common theme in our cardiomyocytes. We have also developed activities is the strong coupling to biomedical methods for functionalization of bacterial and biological research, and collaborations with cellulose for improved performance in wound research groups in these areas at LiU, nationally care applications. and internationally. We have a long tradition of close collaboration with industry and run several collaborative and industry co-funded projects. We teach undergraduate and graduate courses related to our research areas: Molecular physics, Supramolecular chemistry, Surfaces Figure 1. Collagen-silver nanowire composite and interfaces, Proteomics, Materials in hydrogel. medicine, Fluorescence and Infrared spectroscopy. Karin Enander is vice chair of the An antimicrobial peptide (AMP) mimetic study board for chemistry, biology and system has been developed which enables biotechnology. recognition-based tuning of lipid membrane permeability (Fig. 2). With Prof. Torbjörn • Karin Enander is director of The Centre in Bengtsson (ÖrU) we have also explored the Nano Science and Technology (CeNano) membrane perturbing effects and antimicrobial within LiTH, member of the appointment board at LiTH, and responsible (with Ann- activity of a two-peptide bacteriocin. Christin Brorsson) for Equal Opportunities activities at IFM. • Daniel Aili was promoted to Senior Lecturer in Molecular Physics. • Abeni Wickham defended her doctoral thesis “Multifunctional Biomimetic Scaffolds Tailored for Cardiac Regeneration“.

Research highlights Functional nanomaterials for medicine (Aili) Figure 2. Recognition-based AMP-mimetic We have developed a versatile library of tuning of membrane permeability peptide-hybrids for self-assembly of nanostructured materials and hydrogels. The Novel peptide biorecognition elements properties of physical hydrogels based on these (Enander, Selegård) peptides, including thermal stability and We have recently established the one-bead-one- viscoelasticity, can be rationally controlled. By compound (OBOC) approach to peptide library incorporating silver nanowires in self- synthesis, which allows us to select and identify assembling collagen hydrogels we have short peptide biorecognition elements (BREs) developed biomimetic composite materials towards a wide range of (bio)chemical targets. demonstrating excellent charge storage and We are now applying this technology to injection capacities (Fig. 1). The research problems where the availability of nanocomposites inhibited growth of bacteria small, robust BREs is crucial. Two such projects while supporting proliferation of have started in 2015, where the targets are

59 luminescent conjugated oligothiophenes (P Mechanisms of lysosomotropic detergents Nilsson, IFM) and an extracellular loop of the (LDs) (Ederth, Giraldo) PAR4 receptor (T Lindahl and S Ramström, Lysosomal membranes are permeabilized in IKE, LiU). response to cell death stimuli, although the mechanisms behind this are poorly understood. In collaboration with K Öllinger (IKE, LiU), we use biophysical tools to investigate how LDs destabilize lysosomal membranes. Recent observations of spontaneous vesiculation of the LD O-methyl-serine dodecylamide hydrochloride (MSDH) at very low concentrations challenges established views of Figure 3. a) “Hit” bead from a screen of a LD mechanisms (Fig 5). peptide library against a luminescent conjugated oligothiophene, visualized by the fluorescent properties of the target. b) The amino acid sequence of the peptide on the bead was identified by partial Edman degradation and MALDI-TOF MS.

Antifouling (Ederth) Fundamental aspects of bioadhesion and antifouling in marine and physiological environments are investigated using Figure 5. Cryo-TEM image of spontaneously molecularly engineered coatings. Recent formed MSDH vesicles. progress includes development of a contact- active antialgal polymer (Fig 4). In addition to Materials for tissue engineering (Phopase) our in-house analytical tools, we are Recognizing the need for de novo designed increasingly using neutron reflectometry to materials for tissue engineering and biomedical elucidate the wet structure of polymers, and applications, we have developed new materials, correlating antifouling performance to based on self-assembling collagen mimetic molecular properties. peptides (CMPs), as an alternative to natural collagen, and also developed artificial corneal implants from CMPs that self-assemble into collagen-like supramolecular assemblies. Crosslinking CMPs with N-(3-dimethyl- aminopropyl) -N’-ethylcarbodiimide (EDC) forms a stabilized cornea-shaped and -sized implant. Although initially cell-free, when grafted into mini-pig corneas, the implants promote host cornea cell and nerve in- and Figure 4. Ulva linza algal spores on a cationic overgrowth and differentiation, resulting in polymer: A) normal settlement B) abnormal innervated neo-corneas that were structurally settlement, preventing growth into an adult plant.

60 Molecular Surface Physics and Nano Science and functionally similar to natural corneas, Staff suggesting their future applicability for clinical • Professor: Kajsa Uvdal grafting. The regenerated neo-corneas resulting • Junior Researcher: Caroline Brommesson, from grafting of CMP hydrogels show Zhangjun Hu regeneration of corneal tissue and nerves and • Postdoc: Qiong Zhang similar morphology to healthy, unoperated corneas (Fig 6). • PhD students: Natalia Abrikossova, Andreas Skallberg, Emanuel Larsson and Peter Eriksson • Visiting PhD student: Jiwen Hu • Administrative staff: Karina Malmström, Therese Lindkvist

Figure 6. Corneal implants from RHCIII-MPC and CLP-PEG at 12 months post-implantation into pigs. Initially cell-free implants show equivalent efficacy in promoting corneal nerve and epithelial cell ingrowth, and resemble the General unoperated control. The division of Molecular Surface Physics and Nano Science is a division at Applied Physics IFM, active in the field of Nanomaterial and Molecular thin film physics and spectroscopy. Our main focus is on surface modification for sensing/biorecognition and nanoprobes for biomedical imaging. Biospecific binding phenomena at solid surfaces are investigated. Design and characterization of new and improved nanoprobes for imaging are performed. Equipment used are X-ray Photoelectron Spectroscopy (XPS), Photoemission electron Microscopy (PEEM) Near Edge X-ray Absorption Fine Structure (NEXAFS) Spectroscopy, Infrared Absorption Spectroscopy (IRAS), Dynamic Light Scattering (DLS), Transmission Electron Microscopy (TEM), computed tomography (CT) and Magnetic Resonance Imaging (MRI). Super small particles i.e. particles with very small volume, with unique physical and chemical

61 properties, have a high potential in biomedical The PhD programme imaging and future biosensing applications. We The PhD students within the division of are designing biocompatible nanoparticles Molecular Surface Physics and Nano Science based on transition metal and rare earth metal are enrolled in the graduate school Forum oxides. These are very promising as positive Scientium. contrast agent (Patents) in MRI and CT. Powerful equipment available at IFM, in house experience of life science technology and Highights molecular physics as well as close collaboration Nanoparticles for biomedical imaging with CMIV (Center for Medical Image Science In this project we are designing and and Visualization) facilitate progress in the field characterizing rare earth nanoparticles to of novel nanomaterial design for bio medical optimize the contrast in magnetic resonance imaging. imaging (MRI) and computed tomography Research based on the use of synchrotron (CT). This project includes material design and radiation is of main importance for our research synthesis, characterization, surface group and is conducted at MAX II Swedish modification, biofunctionalization and signal national laboratory in Lund and at Elettra optimization followed by tagging for targeting Trieste Italy MAX II is a third generation purposes. The MR signal optimization is done electron storage ring for synchrotron radiation. in cooperation with the Center for Medical The techniques used are high resolution X-ray Image Science and Visualization (CMIV) at the Photoelectron Spectroscopy (XPS) and Near medical faculty and University Hospital. CT is Edge X-ray Absorption Fine Structure done at Elettra Italy. We have shown that the (NEXAFS) spectroscopy) and computed relaxation properties of this contrast agent have tomography (CT) at the synchrotron facility at an enhancing capability with respect of MRI Elettra Trieste in Italy. signal, compared to the commercially available ion based Gd-DTPA contrast agent. Teaching A yearly course in Surface Science (TFTB35) which is an Undergraduate profile courses, 4th year for students on the programmes Chemical Biology and Engineering Biology, is conducted in our research laboratories. The students Figure 1. A). Transmission electron microscope images of one Eu doped Gd O based obtain hands on experience in using powerful 2 3 nanoparticle on a SiO surface B) Schematic techniques and equipment in surface science. x The projects and molecular systems chosen are illustration of one surface modified closely related to issues in biomolecular surface nanoparticle C) strategy for surface modification research. The course Material for modification D) MR image of the human brain. biomedical engineering –from nano to macro level (TFYA63) was given for students enrolled Promising data on CT is just obtained. With in the Biomedical Engineering program. The this new contrast agent the aim is to obtain course deals with biomaterials and their higher resolution, tissue specific images and interaction with human cells and tissues and is cell- and molecular imaging. Knowledge composed of lectures and seminars as well as obtained with in the project will contribute to extensive laboratory exercises. the understanding of drug delivery targeting.

62 Our goal is to improve the contrast to enable Momentum microscope with a HeI lamp (21.2 high resolution imaging for e.g. early diagnosis eV) was installed last year, as an additional tool of neurodegenerative diseases and cancer. This for surface analysis. This microscope is desired is a true interdisciplinary project, combining for imaging the angular distribution of emitted physics, chemistry, biology and medicine. The electrons, i.e. k-space imaging. Real space and material developed has high potential both as k-space imaging of Ag(111) is shown in Figure 1 CT nanoprobes and as a positive MR contrast resp. Figure 2. For k-space, the image is taken agent. We have initiated and established a spin at photon energy of 21.2eV, showing emission off company Spago Imaging AB. of valence electrons close to the fermi energy. Nanoparticle surface modification strategies The white spot in the center of Figure 2 are of main importance. We have now, in represents the surface state. collaboration with P. Norman, M Linares Computational Physics, Linköping University and obtained theoretical calculations, verifying the experimental based assignments and vibrational assignments and molecular coordination for functionalized surfaces and nanoparticles.

Core level imaging spectroscopy NanoESCA A new combined PEEM and imaging XPS Figure 3. Real space imaging of Ag(111), FoV equipment (NanoESCA) financed by KAW is 81µm with an desired area determined by the recently installed in our laboratory. The iris aperture Figure 2. K-space imaging of -1 NanoESCA instrument deliver images chemical Ag(111) with a FoV 5.2 Å information with lateral resolution on the micro- and nanolevel. A set of images from A Series of Zn(II) Terpyridine Complexes Core level imaging spectroscopy NanoESCA on with Enhanced Two-Photon-Excited Bifunctional gadolinium decorated ZnO Fluorescence for in Vitro and in Vivo nanocrystals, stamped on SiOx surface, are Bioimaging shown in Figure 3 a -c. There has still been a challenge to obtain two- photon excited fluorescent bioimaging probes with intense emission, high photo-stability and low cytotoxicity. At present work, four Zn(II)- coordinated complexes constructed from two novel D-A ligands are investigated both experimentally and theoretically, aiming to Figure 2. NanoEsca images of Bifunctional explore efficient two-photon probes for gadolinium decorated ZnO nanocrystals bioimaging. The molecular geometry transferred to a silicon surface using a optimization used for the theoretical polydimethylsiloxane (PDMS) stamp to calculations is obtained from the produce micro-patterns with a diameter of 80 crystallographic data. Notably, the results μm. Photoemission with lateral resolution are indicate that the complex display enhanced produced, imaging a) Zn2p3/2 and Gd3d51/2) b) two-photon absorption (2PA) cross sections

Two types of O1s c) Gd3d51/2) and O1s compared their corresponding D-A ligand. correlated to SiOx and Gd2O3 respectively. Furthermore, it was found that the complex

63 exhibits the advantages, including moderate Nanoparticle blood cell interaction 2PA cross section in the near-infrared region, Already at an early phase in the development of longer fluorescence lifetime, higher quantum nanoparticle based probes for biomedical yield, good biocompatibility and enhanced two- applications, the aspect of biocompatibility photon excited fluorescence. Therefore, needs to be addressed. In the group, much of complex is evaluated as bioimaging probe for this work is focused on evaluating nanoparticle HepG2 cells in vitro imaging, in which it is interaction with blood cells such as neutrophils, observed under two-photon scanning monocytes/macrophages and platelets. These microscopy that the complex exhibits effective are all are among the first cells to encounter a co-staining with endoplasmic reticulum (ER) nanoparticle if administered in vivo, and they and nuclear membrane; as well as for zebrafish have capability to quickly respond, become larva in vivo imaging, in which it is observed activated and in many ways they govern the that the complex 1 exhibits the specificity in the following nanoparticle triggered immune intestinal system. response. Our studies aim at clarifying inflammatory mechanisms and pathways triggered by nanoparticles. We do this e.g. by evaluating cellular production of reactive oxygen species in response to particle exposure as well as particle internalization. Our studies have e.g. shown that the capping of nanoparticles (i.e. surface functionalization) is important and greatly Figure 4 TPA cross sections are enhanced for the influences the provoked cellular responses. complex compared with its D-A type ligand. The complex exhibits specificity in two-photon fluorescent imaging

Multifunctional Nanoprobes for Tumor Diagnosis One fundamental part of the biomedical imaging research is devoted to the design and synthesis of new recognition nanoprobes and to their capability for signal enhancement. A new interdisciplinary project involving Applied Physics, Organic chemistry, Pharmacology, Fig 5. Grannulocytes quickly respond when in CMIV and Clinical and Experimental Medicine contact with nanoparticles. Nanoparticle to develop nanoprobes for biomedial imaging capping is of importance. and tumor targeting. Our vision is to design calcium-receptor targeted nanoprobes with luminescence and magnetic properties, with the capability to specifically image.

64 Surface Physics and Chemistry Research collaborations Staff Prof A Persson Center for Medical Image • Professors: Mats Fahlman (Head of Division) Science and Visualization (CMIV). Prof O • Associate professors: Nathaniel Robinson Gimm, Health University Linköping, Prof P. (Assistant Head of Division) Norman, Computational Physics, LiU Prof, R. Koung-An Chao (Emeritus), William R. Salaneck (Emeritus) Yakimova, Material Physics, Prof. A. Lloyd Spetz, Åbo Finland, T Bengtsson Örebro, LiU • Research engineers: Slawomir Braun, Xianjie Liu Post.docs: Marek Szymanski, Cancer network, SPAGO Medical AB Lund. Qian Zhang, Qi Zeng, Moritz Banholzer MaxIV Swedish National Laboratory in Lund, • PhD students: Qinye Bao, Katarina S. S. Venkatraman NTU Singapore J Tromba Bengtsson, Per Erlandsson, Sara Nilsson, Elettra Trieste Italy. C Dullin Germany Chuanfei Wang, Yong Yu • Administrative staff: Kerstin Vestin The centre in nano science and technology (CeNano) is an organization within the Technical Faculty Summary of Linköping University. The mission of CeNano The division consists of two research groups: is to strengthen and support the competence Organic Physics (Fahlman, Bao, Braun, Liu, within nano science and nano technology of the Wang, Yu, Zeng, Zhang) and Transport and faculty. This is made by gathering researchers Separations (Robinson, Ainsebaa, Szymanski, with nano activities in the centre and by acting Banholzer, Bengtsson, Erlandsson, Nilsson). for increased collaborations and common The Organic Physics research consists of projects in the nano realm. CeNano also acts for fundamental study and model development of development and coordination of the graduate weakly-interacting organic-organic and and under graduate education in this scientific organic-metal interfaces; interface engineering area. in organic electronics i.e. development of techniques for improving charge injection, exciton dissociation and stability of interfaces in organic electronic devices; transparent conducting electrodes (graphene, inorganic oxides) and their interaction with organic electronic materials; intrinsically conducting polymers such as PEDOT: the effect of synthesis and choice of (poly)anion on conductivity, bio- compatibility and general surface properties. The Organic Physics group also does research focused on the study and design of hybrid organic spintronic interfaces (spinterfaces) with the aim to understand and improve spin injection/detection. The Transport and Separations group focuses on ionic and electronic transport in fluids and solid-state materials. One particular goal of the research is to create and understand

65 new devices in areas such as micro- and nano- 4. Highlights fluidics and solid-state lighting. The group Organic Physics group develops systems for chemical, biological and medical study using microfluidic labs-on-chips. Regular Energetics at Conjugated Electrolyte/ In addition to the work on microfluidics, Electrode Modifier for Organic Electronics and research and development of light-emitting their Implications on Design Rules [Qinye electrochemical cells are carried out in Bao, Xianjie Liu, Ergang Wang, Junfeng Fang, collaboration with Umeå University. Feng Gao, Slawomir Braun and Mats Fahlman, External collaborations with specific funding Advanced Materials Interfaces, 2 (2015) during 2015 included the EU-FP7 project 1500204] SUstainable Novel FLexible Organic Watts Energetics at Doped Conjugated Polymer/ Efficiently Reliable (SUNFLOWER) and the Electrode Interfaces [Qinye Bao, Xianjie Liu, SSF project Large-area light-emission on the Slawomir Braun, Feng Gao and Mats Fahlman, roll. Advanced Materials Interfaces, 2 (2015) The division received additional funding 1400403] from two contracts issued by the Swedish Energy level bending in ultrathin polymer Research Council (VR), two contracts layers obtained through Langmuir-Shäfer (Designed Nanoparticles by Pulsed Plasma; Tail deposition [Qinye Bao; Simone Fabiano; of the Sun) from the Knut and Alice Wallenberg Mattias Andersson; Slawomir Braun; Zhengyi foundation, one contract from the Göran Sun; Xavier Crispin; Magnus Berggren; Xianjie Gustafsson Foundation for Research in Natural Liu; Mats Fahlman, Advanced Functional Sciences and Medicine and one contract from Materials in press] the Swedish Foundation for Strategic Research (Light-emission on the roll). Further funding Interface engineering for efficient charge was received internally from the LiLi-NFM injection/extraction in organic electronic Linnaeus project and the AFM project. devices plays a crucial role for the technology of The division’s involvement in the e.g. organic light emitting diodes and solar cells. undergraduate teaching activities of the In a series of papers, we provide a unified model university during 2015 consisted of the course for how the alignment of energy levels at THYA46 Engineering Project (Bengtsson) and interfaces are modified by doping and by thin TFYA87 Physics and Mechanics (Fahlman). ion-containing electrode interlayers, thereby enabling efficient design of materials and device PhD and Licentiate theses structures. We also explore the much debated phenomena of energy level bending in organic PhD theses: semiconductor films, where by using Langmuir- Qinye Bao, “Interface Phenomena in Organic Shäfer layer-by-layer deposition of polymers we Electronics” tracked the spatial dependence of the energy Sara Nilsson, “Electrodes and Electrokinetic level bending at a precision never achieved for Systems for Biotechnological Applications” semiconducting polymers. The precision in Licentiate theses: both the film fabrication and experimental Katarina Bengtsson, “Additive manufacturing approach enabled us to present a model that methods and materials for electrokinetic explains both our results and those previously systems” described in literature.

66 Role of Thick-Lithium Fluoride Layer in Getters, CNR – ISMN, Fachhochschule Energy Level Alignment at Organic/Metal Nordwest Schweiz, Chalmers, FhG IVV & ISC, Interface: Unifying Effect on High Metallic Universitat Jaume I de Castellon, GenesInk, Work Functions, Z.Y. Sun, S.W. Shi, Q.Y. Bao, CNRS, University of Antwerpen. X.J. Liu, M. Fahlman, Advanced Materials There are many other partners in co-publishing Interfaces, 2 (2015) 1400527. The function of activities outside of the co-financed projects as alkali halide buffer layers in combination with well. high work function metal contacts such as Interaction with society coinage metals and ferromagnetic metals for • Commercialization efforts are underway for use in organic electronics and spintronics was both the LEC and microfluidic research via determined. Lunavation AB and its subsidiaries, LunaLEC AB and LunaMicro AB. Transport and separations group • We assist the industrial partners in their • Continued its progress in developing “soft” commercialization efforts in the various EU (e.g. polymer) systems for electronic, FP7 projects. chemical, and biological applications, • Nate Robinson has accepted the role of including projects developing sacrificial Interaction with society coordinator template materials for 3D printing (Samverkanskoordinator), representing IFM microfluidic devices, and cell delivery systems in the university’s broader effort. for microfluidic bioreactors, and creating hybrid nanoparticle/polymer devices for efficient flexible lighting. We also began modelling efforts to describe the operation of polymer light-emitting electrochemical cells. We celebrated our first graduated PhD student (Sara Nilsson) in 2015. • Increasingly used 3D printing in our own research, and now support other groups interested in testing the technology for use with soft and/or conducting materials. • NDR led Work Group 1 in the COST targeted network Sci-Generation (www.scigeneration. eu) working to enhance the European research environment for the next generation of young scientists.

Cooperating partners and visiting scientists The different international universities, institutes and companies with which funding were shared in projects during 2015 are listed below: EU-FP7 SUNFLOWER: CSEM, Merck, DuPont Teijin Films, AMCOR Flexibles, AGFA- Gaevert NV, Fluxim AG, Belectric OPV, SAES

67 Scientific Branch of Biology General Information Staff complex biological system. This is knowledge • Head of division: Agneta Johansson which is strongly requested from society. It influences a wide range of societal issues from • Professors: Mats Amundin (adjunct professor) Per Jensen, Jan Landin (emeritus), the use of gene technology for altering and Matthias Laska, Per Milberg affecting the function of various organisms, to • Associate professors/Senior lecturers: questions of animal welfare in modern farming Agneta Johansson (Director of studies) and the management of species and ecosystems Ricky Ansell (adjunct), Jordi Altimiras, for biological conservation purposes. Johan Edqvist, Karl-Olof Bergman, IFM Biology has about 60 persons employed Jenny Hagenblad, Anders Hargeby, in total, of which about ca. 20 are PhD- Matti Leino, Karin Tonderski, Jennie Westander (adjunct), Dominic Wright, students. To organize and lead the activities, Thomas Östholm, Hanne Løvlie the branch has a steering committee, which includes the head of division, who is also the • Assistant professors: Carlos Guerrero, Bosagna, Urban Friberg, Lina Roth, director of studies, and three assistant heads of Lars Westerberg division. This group meets weekly and is • Junior lecturers: Kjell Carlsson, responsible for matters concerning budget, Eva Mattson, Åsa Rybo Landelius, teaching, research, PhD-education and Annelie Andersson (adjunct) organization. • Guest researcher: Els Willems, Within IFM Biology, research is organised in Natasja Costermans, Anouschka Middelkoop research groups, which are ad hoc associations • Post doc: Rie Henriksen, Niklas Jansson, of people working on a common scientific Dennis Jonason, Christopher Kimber theme. The groups are dynamic, and can • PhD-students Beatrix Agnvall , Johan Beltéky change their composition as deemed suitable Magnus Elfwing, Maria Ericsson, by the involved people. In the following pages, Amir Fallahshahroudi, Nils Forsberg (NTU), the research groups active during 2015 present Pernilla Foyer (FHS), Andrey Höglund, their activities. Karin Johannesson, Martin Johnsson, Anna-Carin Karlsson, Caroline Lindholm, The PhD-education is carried out within Maria Lundström, Pia Lötvedt, four different subjects: Ecology, Zoology, Helena Olsson, [email protected], Ethology and Genetics. Within Ecology, Josefina Zidar, Hanna Österman emphasis is on community and population • Administrative/Technical staff:Petros ecology, including conservation biology, Batakis (Lab Technician), vegetation and wetland ecology. In Genetics, Ann-Charlotte Svensson-Holm (Lab research training is focusing on the Technician), Lejla Bektic (Animal Technician), Liza Bergkvist (Technician), domestication of plant and and animal species, Tove Bjerg (Technician), sexual dimorphism and ageing. In Zoology, Eva-Maria Stigsdotter (Administrator), research is mainly focused on developmental Anna Sundin (Administrator) aspects of cardiovascular control and comparative olfaction research, and in Biology covers all aspects of life science, from Ethology, focus is on domestication effects on subcellular molecular processes, via organisms behaviour in chickens and behaviour genetics to whole ecosystems. Basic scientific challenges and welfare in chickens and dogs. The staff is in the area concern the way in which genetic also deeply involved in undergraduate teaching instructions influence the development of in all subjects covering the biological education organisms, which interact and constitute a programs.

69 AVIAN Behavioural Genomics and Physiology IFM Biology has had a great success rate in The AVIAN Group performs research on external funding over the last couple of years, various topics related to the biology of birds and and important grants were also obtained 2015. other animals, including ethology, personality, For example, researchers from the branch were epigenetics, genetics, physiology, evolution and awarded project grants from VR and Formas. welfare issues. The P.I.s in the group currently Professor Per Jensen holds contract supports includes Per Jensen (head), Jordi Altimiras, from the University. Furthermore, Professor Per Dominic Wright, Hanne Løvlie, and Urban Jensen is supported by an ERC Advanced Friberg. Researcher Grant. Traditionally, research of the group has Research facilities include the research mainly focused on the ancestral Red Junglefowl chicken house (“Wood-Gush”) and the hatchery and modern chicken breeds with the goals of (“Kruijt”), along with state-of-the-art molecular understanding the genetic basis of animal lab facilities. domestication and its functional mechanisms. IFM Biology has a wide-ranging More recently has the research expanded to collaboration with groups and labs in different include also other avian species (Tinamou), places of Sweden and abroad. For example, mammals (dog), and insects (Drosophila). cooperation in both teaching and research is As part of the Centre of Excellence in Animal maintained with groups in Bolivia, The Welfare Science our research is also dedicated Netherlands and Great Britain. Furthermore, to the improvement of animal welfare. In April, the cooperation with Kolmården Zoo has researchers from both AVIAN and SLU continued and produces both research results participated with popular activities at the and teaching collaboration. Gothenburg Science Festival. During 2015, we published the most extensive mapping of genetic and hormonal and behavioural responses to stress in chickens, showing that domestication has significantly modified several aspects of the stress reaction (Fallahshahroudi et al, 2015, Scientific Reports).

Chickens are important model animals in the AVIAN group. Their behaviour, genomics and physiology are studied in a number of research Female domestic fowl. A publication from 2015 projects. explores the ontogeny of personality traits in Red Junglefowl, and shows that the consistency of behaviour may change across the lifetime (Favati et al, 2015, Behavioral Ecology). Photo: Josefina Zidar.

70 The ethology lab under Per Jensen has continued work showing that Red Junglefowl selected for low fear of humans displays correlated responses in a number of other behaviour traits. A landmark paper reported that not only social behaviour, but also metabolism and feed efficiency has changed by the selection regime, potentially explaining some of the effects of early domestication (Agnvall et al, 2015, Biology Letters). In another paper it was demonstrated that a mutation in the gene coding for Thyroid Hormone A laboratory beagle attempting to solve an Stimulating Receptor, selected during chicken unsolvable problem, a task that is used to domestication, affects a wide range of measure the propensity of dogs to seek human behavioural and developmental traits (Karlsson cooperation. This was found to have a et al, 2015, PLoS ONE). Furthermore, a large- significant genetic component as reported in one scale study used integrative data from paper from 2015 (Persson et al, 2015, Genes, behaviour, physiology and epigenetics to show Brain and Behavior). Photo: Mia Persson. long time effects of early stress in chickens (Elfwing et al, 2015, PLoS ONE). In this area, Hanne Løvlie and her group continued their Magnus Elfwing defended his PhD-thesis in work exploring the causes and consequences of June 2015, on stress regulation in chickens. variation in animal personality. Dr. Enrico The epigenetics work of the group is being Sorato joined the group on a postdoc funded by developed largely by Carlos Guerrero-Bosagna Carl Trygger’s foundation. Articles published in Jensen’s group. Within the framework of an includes the ontogeny of personality (Favati et Advanced Grant from ERC (“GENEWELL”), al, 2015, Behavioral Ecology) and the Jensen’s group studies the relationship between relationship between personality and milk genetics, epigenetics and stress in both chickens production in dairy cows (Hedlund and Løvlie, and dogs. During the year, significant advances 2015, Journal of Dairy Science). Hanne was have been made in both areas, and important promoted to associate professor, and later as a publications on both species have been permanent senior lecturer. She was awarded a 5 published. For example, one paper described a year LiU career contract, and a 3 year ‘Future new and optimized method to determine research leader’ grant from the Swedish methylation levels in DNA (Guerrero-Bosagna research council Formas. and Jensen, 2015, MethodsX). The genetics lab under Dominic Wright In the dog part of the project, we reported expanded with a new post-doctoral researcher, that female dogs differ consistently in the level Dr. Rie Henriksen, funded by The Carl Trygger’s of maternal care towards their pups (Foyer et al, Foundation., The group continue to work on the 2015, Scientific Reports). Pernilla Foyer genetic basis of a sexual ornament, the comb, as defended her PhD-thesis on effects of early well as identifying genes affecting a range of experiences and maternal care on later phenotypes, from behaviour (Johnsson et al. behaviour in dogs in December 2015. 2016, Genetics), to bone density (Johnsson et al.

71 2015, PLoS Genetics) and fecundity (Johnsson Lindström, from the Theory and Modeling et al. 2015, G3) to feather colour. Analysis on division at IFM. In collaboration with Gunnar samples collected from Hawaii has now been Cedersund’s group from IMT/IKE we also published, with mitochondrial and phenotypic published a modeling study on dose-response data indicating that the chicken population on curves in cardiac tissue in response to the island of Kauai is an admixed population adrenergic agonists. consisting of birds of both Red Junglefowl and The evolution and genetics lab under Urban domestic origin (Gering et al. 2015, Molecular Friberg recruited Lawski Postdoctoral Fellow Ecology). Funding came in the form of a VR Christopher Kimber. PhD student Robert Links grant in collaboration with Prof. Griffin defended his thesis on ‘The genetic Heriberto Rodriguez Martinez to foster a architecture of sexual dimorphism’. The lab collaboration to study sexual selection in Red continued to study various aspects of the Junglefowl in Bangladesh. genetics of ageing and sex differences. Articles Jordi Altimiras and the physiology lab are published during the year include a study on a currently focusing on the welfare consequences new genetic mechanism for how sex difference of severe feed-restriction in broiler breeder are generated (Stocks et al 2015 PLoS commercial chickens. This is in collaboration Genetics), evidence for that the Y chromosome with the largest Swedish company in the sector regulates lifespan (Griffin et al 2015 Journal of SweHatch AB, financially supported by Evolutionary Biology) and a new hypothesis for FORMAS. On farm studies of behavior and what type of mutations that contribute to physiology of broiler breeders before reaching ageing (Maklakov et al 2015 BioEssays). sexual maturity are revealing interesting phenotypic differences associated to differential Further information, news and publications growth. Our first proof-of-concept article from the AVIAN group can be found at http:// appeared in Animal Welfare and we have shown www.ifm.liu.se/biology/zoology/avian/ that at 4 weeks of age small-for-age animals appear to invest less in muscle growth and more in internal organ growth than large-for-age animals. Considering that these animals will be future breeders such an investment is likely to be positive rather than negative, as traditionally seen by producers when animals do not grow equally well. Work on the mechanisms and consequences of heart size in birds is continuing and this year we presented novel results on cold phenotypic plasticity of the heart in newly hatched birds at the 9th International Congress of Comparative Physiology and Biochemistry in Krakow, Poland. At the same time, our study on the mechanisms of embryonic heart growth in response to hypoxia appeared in the American Journal of Physiology with Hanna Österman as first author and with the collaboration of Tom

72 The Sensory and Behavioral Physiology Group Professor: Matthias Laska Highlights In a collaboration with the German Primate Research in the Sensory and Behavioral Center and the Universidad Veracruzana in Physiology Group focuses on odor structure- Mexico, Matthias Laska and Rosa Orts Garri, activity relationships, that is, on determining one of his Master’s students, demonstrated that the properties of stimulus molecules that are spider monkeys are able to recognize the critical for the interaction with an olfactory ripeness of fruits based on olfactory cues alone. receptor and thus for the odor quality they More specifically, they showed that spider evoke. A second research topic concerns monkeys have an excellent ability to correlations between chemosensory discriminate between the odors of different performance and neuroanatomical and genetic degrees of ripeness in tropical fruits that are properties such as the size of olfactory brain part of their natural diet. Even small changes in structures or the size of the olfactory receptor the chemical composition of the fruit odors repertoire. A third research topic includes occurring during the ripening process were studies on the effects of behaviorally relevant detected by the animals. This finding adds to odors on the behavior of animals. Here, the growing body of evidence suggesting that particular emphasis is on food odors, social the sense of smell in primates is clearly better odors, and predator/prey odors. With all three than previously thought and that primates use topics, a comparative approach including their noses for food selection (Nevo, Orts Garri, human subjects and a variety of animal models Hernandez Salazar, Schulz, Heymann, Ayasse, is employed. Laska 2015. Scientific Reports 5: 14895) Master’s student Alexander Wielbass collected the first data ever on taste performance in a critically endangered primate species, the black-and-white ruffed lemur (Varecia variegata). He found that the relative sweetness for food-associated sugars in primates, but not necessarily their sweet-taste sensitivity, may correlate with dietary specialization (Wielbass, Amundin, Laska 2015. Int J Primatol 36: 460-472.) The study took place at Kolmården Wildlife Park. A spider monkey (Ateles geoffroyi) performing In another study, Matthias Laska showed a two-odor discrimination task. The study took that outbred and inbred strains of mice differ place at the field station of the Universidad markedly in olfactory discrimination learning, Veracruzana in Mexico. a classical measure of cognitive performance in animal models. These results emphasize the need to be cautious with generalizing statements as to cognitive or sensory abilities of the mouse depending on whether inbred or outbred strains of animals are used (Laska 2015. Chem Senses 40: 489-496.)

73 Conservation Ecology Group Professor: Per Milberg

Research during 2015 focused on species-rich grasslands and deciduous forests and involved plants and insects.

A mouse (Mus musculus) in front of an odor delivery port, ready to participate in an odor learning task. The study took place at the Center for Biomedical Resources of LiU.

Cooperation The Sensory and Behavioral Physiology Group Elater ferrugineus, a red-listed click beetle has a long-standing collaboration with the dependent on old hollow oaks. The green spots Instituto de Neuro-Etologia of the Universidad on the wings are markings that help tell Veracruzana in Xalapa, Mexico. Every year, individuals apart. students enrolled in the International Master’s Program “Applied Ethology and Animal We continued our work on catching rare insect Biology”, have the possibility to perform the species in pheromone traps – a novel approach experimental part of their thesis work in Mexico within conservation – and completed a study on and collect data on chemosensory performance a rare moth species. We were able to both in spider monkeys. The group is also extend its known distribution area considerable collaborating with the German Primate Center and to show that the opinions about habitat in Göttingen, Germany, the Centre for Research requirements were simply wrong in Animal Behaviour at the University of Exeter, We also continue our work on saproxylic England, the research division of AFB species this year completing a paper that International in St. Charles, USA, and the compared the conservation benefits of large Department of Food Chemistry at the downed trunks of oaks, a very rare feature in the University of Erlangen, Germany. A new landscape. They turned out to carry a very rich collaboration includes joint projects with the fauna of saproxylic beetles (i.e. beetles living in Department of Clinical Neuroscience at decomposing wood prefer) that was distinctly Karolinska Institute in Stockholm. Finally, the different from that in large living oaks. In group is collaborating intensively with another paper on oak insects we looked at large- Kolmården Wildlife Park and with Borås Zoo scale spatial trends in the occurrence of where numerous studies are performed. specialist and generalists; we condluded that future warmer climate would benefit the non- specialists. A project that has been very exciting is our study of biodiversity of clearcut in production forests and the effect of previous land-use. It has

74 turned out that landuse in the late 1800s had a very strong effect on today’s biodiversity. Clearcuts with a land use history of meadows had 36% more species even after at least 80 yers of production forests.than clearcuts with a history as forests. In one paper in 2015 we evaluated data from experiments comparing different management options for valuable grasslands, and we did so by turning biodiversity data into oddsratios, that could then be used in metaanalyses. We were able to show that the annual mowing was Many species of insects and fungi, including moderately better than grazing when it comes many rare ones, depend on forest fires. to maintaining high biodiversity. This, and Preserving such species constitute a major several ongoing project, were part of a project challenge, and is likely to benefit from a sponsored by the Swedish Board of Agriculture. landscape perspective During 2015, we continued our work involved species dependent on, or promoted by, forest fire and published a paper describing a new method of sampling such species.

Cooperation Our projects involve cooperation with a number of universities and research institutes in Sweden (e.g. University of Lund, SLU (Uppsala, Alnarp, Umeå), and abroad (Norwegian University of Life Sciences, Norway; Debrecen University, Hungary, University of Regensburg, Germany; Oklahoma State University, USA; Federation University, Australia).

External activities Lars Westerberg has an appointment as monitoring analysis expert (the Environmental Protection Agency). Karl-Olof Bergman is involved in a national monitoring program for biodiversity in semi-natural grasslands.

75 Plant Evolution Group Staff • Associate Professor: Johan Edqvist, Jenny Hagenblad • Assistant Proffessor:Matti Leino • Post doc: Per Larsson • PhD student: Nils Forsberg, Maria Lundström • Technician: Tove Bjerg, Ida Gustafsson • Director of studies: Agneta Johansson Swede tasting at Grand Hotel in Stockholm. Foto: Inger Olausson. Research and PhD training The PlantED group focuses on two main lines of Collaborations research. The LTP team headed by Johan External collaborations Edqvist focuses on understanding lipid transport LTP group – Tiina Salminen (Åbo Akademi proteins using Physcomitrella patens and University), Peter Mattjus (Åbo Akademi Arabidopsis thaliana as model systems. The University), Magnus Eklund (Uppsala research in the LTP group is focused on function, University) structure and evolution of the non-specific lipid Historic seed group – Robin Allaby (University transfer protein (ns-LTP) in plants. of Warwick), Anna Palmé (NordGen, Alnarp), The Historic Seed Group, headed by Jenny Else-Marie Strese (Nordiska museet, Julita), Hagenblad and Matti Leino explores the genetics Carolin Johansson (Medelhavsmuseet, and evolution of landrace crops and agricultural Stockholm), Amelia del Carmen Rodrigues- history with particular attention to crops Rodrigues and Jacob Morales-Mateos cultivated in Fennoscandia. Genebank material, (Universidad de Las Palmas de Gran Canaria, seed samples from historical collections and Spain), Mia Avci-Lempiäinen (Turku archaeological remains are used for the studies University, Finland), Tytti Vanhala (Vanhalytix, and both population genetic structure and Sweden), Hugo Oliveira (CIBIO, Portugal), specific traits such as flowering time and Jens Heimdahl (National Heritage Board) and nutrient content of historical crops are explored. Bente Graae (Norwegian University of Science and Technology, Trondheim) Highlights The Historic Seed Group has published several External Activities papers in both English and Swedish speaking Jenny has given a talk at the NordGen meeting journals. Maria has visited several museums about Crop Wild Relatives. Matti has been the sampling archaeological specimens for opponent of a dissertation and in total the genotyping. In March Nils defended his PhD senior members of the group have been and in June the group held a smaller meeting at evaluating four PhD dissertations. the Swedish Museum of Cultural History in Stockholm with participants from both Norway and Finland. Matti has been elected a member of the swede academy, Kålrotsakademien, and also given presentations at the academy’s meetings.

76 Animal Biology Group This year has been dominated by the work to In addition to this project, several students finalize the SAMBAH project (www.SAMBAH. attending the LiU master program Applied org). This project employed an innovative ethology and animal biology, have carried out passive acoustic methodology to survey the their thesis project in Kolmården or was harbor porpoises in the Baltic Sea. It started in supervised by Amundin. In 2014-15 one project January 2010 and ended in September 2015. It studied the use of echolocation in the park’s was coordinated by Kolmården and involved all dolphins, and another investigated behavior EU countries in the Baltic region. Being a and living conditions in yellow-throated LIFE+ project there are a number of deliveries, martens held in European and Russian zoos. such as the final report, including the financial During 2015 one student investigated the accountings and a technical report, which behavior of antelopes, deer and zebras in includes all the scientific results. There will also connection with a change of their indoor be a non-technical report targeting managers quarters to very large, mix-species of the marine environment, stakeholders and compartments. Another project studied the others using the sea and this report puts the echolocation response of the dolphins to results in a conservation perspective. Also different kinds of sonar target, including live scientific papers have been prepared, one fish in underwater aquaria. A third project presenting the population density and tested the audibility of pinger sounds to seals as abundance estimates for the Baltic Sea harbor a first step in the development of a new pinger porpoises, and one presenting their spatial and that cannot be used as a “dinner bell” by wild temporal distribution. Further papers will be seal. produced in the years to come. Amundin, in collaboration with US researchers Ted Cranford at San Diego State University and Peter Krysl at the University of California, San Diego, produced a book chapter, “Sound production and sound reception in Delphinoids”, in “Dolphin communication and cognition; past, present and future”, edited by D. L. Herzing and C. M. Johnson (MIT press). Amundin was a co-author on a paper on the population structure of the Harbour porpoise in the Baltic area (Sveegaard et al. 2015. Defining management units for cetaceans by combining genetics, morphology, acoustics and satellite tracking. Global Ecology and Conservation 3, 839-850) The course Zoo Biology NBID was run at Kolmarden during weeks 4-7, involving a number of Kolmården staff as well as external lecturers. A group of students from Lund University, Mats Amundin with a C-POD, an echolocation attending a medical ultrasound course, visited click train recorder used in SAMBAH to Kolmården on February 23 for a recurrent one- monitor the harbor porpoises in the Baltic Sea. day program on Odontocete bioacoustics.

77 Amundin gave lectures and made live demos of annual symposium of the European Association dolphin sonar behavior in the dolphinarium. for Aquatic Mammals. Amundin was invited Kolmarden was invited by ISY at LiU to speaker and gave a talk titled “Tidbits from a participate in an international project aiming at dolphin freak’s long career” and also presented preventing poaching of rhinos in the Ngulia SAMBAH and various aspects of dolphin rhino sanctuary in Kenya by developing smart behavior. technology surveillance and reporting system. On April 15-17 Kolmården hosted the annual This project, called “Smart Savannahs” is conference of the Swedish Association for Zoos carried out in collaboration with Stimson and Aquaria and Amundin gave an oral Center, New York, and Kenya Wildlife Service. presentation of SAMBAH. Kolmarden will be the local test site for these On April 21, students attending a Population surveillance systems and radar, thermo genetics course at Stockholm University visited cameras, drones and microphone arrays have Kolmården for one day, and were given lectures been tested. by Amundin on the demographic and genetic management of small, semi-closed populations. Amundin was invited to present the SAMBAH results at the conference “Progress in Marine Conservation in Europe, held at the Ozeaneum in Stralsund, Germany, on September 15-18. Amundin was invited to present SAMBAH at an international workshop held at São Francisco do Sul, Brazil. The main aim of the workshop was to produce a conservation action plan for the endangered La Plata dolphin. Image from a test at Kolmården with a micro- Amundin was also asked to evaluate if the doppler radar, aimed to be used for automated SAMBAH methodology could be applied to recognition and tracking of intruders in the survey this elusive dolphin. He brought a set of sanctuary. C-PODs and made test deployments in the A Smart Savannahs kick-off meeting was Babitonga Bay, close to São Francisco do Sul, in arranged on March 2-3, 2015, and a follow-up collaboration with Dr Marta Cremer at Univille workshop was arranged on November 3, where University (http://www.projetotoninhas.org. the progress since the kick-off was presented. It br/) and Dr Lorenzo von Fersen, Nuremberg was attended by the Kenyan ambassador in Zoo and NGO Yaqu Pacha. Sweden, Dr Joe Sang and former minister Gunilla Carlsson, in addition to a large number of scientists and technology companies, participating in the project. On March 22, a SAMBAH progress meeting was arranged in connection with the annual conference of the European Cetacean Society on Malta. The SAMBAH consortium organized an external review process by three international renowned experts on population surveys and assessment. They assessed the methodology, Mats Amundin together with Dr Marta Cremer, field work and analysis results of SAMBAH and Univille University, Brazil, and Dr Lorenzo von reported and provided recommendations at two Fersen, Nuremberg Zoo/NGO Yaqu Pacha, half-day Skype conferences on June 3-4. Germany. On March 23-26 Kolmården hosted the

78 Wetland Dynamics Group Docent: Karin Tonderski evaluate the retention in a two-stage ditch as a The group works on different aspects of function of established plant community at wetland ecology and nutrient flows. In May different locations along the ditch. 2015, Karin Johannesson defended her PhD thesis: “Particulate phosphorus accumulation Biogas from Aquatic Biomass and net retention in constructed wetlands This is an Integrating project within Biogas receiving agricultural runoff: Critical analysis of Research Centre (BRC), aiming at identifying factors affecting retention estimates”. Faculty under which conditions an increased use of opponent was Dr Ben Surridge from Lancaster aquatic biomass for biogas production would University. become a reality. Together with partners from IEI we used an expert panel to evaluate different types of biomass from aquatic and marine ecosystems as substrates for biogas production.

Eu bonus miracle - ecosystem services and innovative governance Since April 2015, K. Tonderski is coordinating the EU BONUS project MIRACLE “Mediating integrated actions for sustainable ecosystems services in a changing climate”. This 3 years project has eleven partners in five countries and focus on identifying innovative governance approaches to contribute to reduced eutrophication of the Baltic Sea. Four different catchments serve as case areas for the studies:

How well is P and particles retained in a two-stage ditch system? This question will be answered in a project where we cooperated with LRF and the Swedish Board of agriculture. Together, we

79 Cooperation Our projects involve cooperation with the University of Lund, Sweden; Swedish University of Agricultural Sciences (SLU), Sweden; the University of Greifswald, Germany; LRF Östergötland and Jordbruksverket, Sweden, for the two stage ditch study; partners and members in Biogas Research Center and all the partners in BONUS MIRACLE.

External activities Members from our group have evaluated research project applications for VR U-forsk and SLF.

80 Scientific Branch of Chemistry General Information Steering committee Dr. Jill Trewhella was granted the prestigious Tage Erlander visiting professorship from The Professors: Swedish research council. Dr. Trewhella has been Bengt-Harald “Nalle” Jonsson (chair) working at the IFM-Chemistry department Per Hammarström during 2015. Dr. Trewhella is an expert in Peter Konradsson biolmolecular Small-angle scattering techniques. Research Divisions of Chemistry • Analytical Chemistry Dr. Samuel Svensson was appointed adjunct Professor at IFM-Chemistry during 2015. Dr. • Inorganic Chemistry Svensson is an expert in pharmacology and is • Molecular Biotechnology the CEO of CBD solutions inc. • Organic Chemistry • Physical Chemistry II. Grants from the Swedish Research • Protein Chemistry Council awarded 2015: Henrik Pedersen received 4 MSEK as a four year young researcher grant from the Swedish Summary of activities Research Council (VR) to study self-limiting The research branch of Chemistry, cover all deposition of metal films by time-resolved traditional areas of chemistry. The major reductive plasma chemistry. research programs Protein Chemistry, Molecular Biotechnology and Organic Per Hammarström received 3 MSEK over four Chemistry all have a strong focus on Molecular years for the project “Protein misfolding and Life Science and Chemical Biology. Research disease” and 0.84 MSEK over three years for the activities in Analytical Chemistry, Inorganic project “Is Chronic Arsenic Poisoning Chemistry and Physical Chemistry are led by Associated with Protein Aggregate Pathology?”. senior staff, often in co-operation with other researchers in the department and with other Maria Sunnerhagen hosted the Tage Erlander research programs at the University. 21 PhD Guest Professor Jill Trewhella with a grant for 2.3 students have been enrolled, 4 PhD Theses and MSEK, and received 2.15 MSEK over three years one Lic thesis were defended at the department for the project “Transient and allosteric protein during 2015. 30 peer-reviewed research papers interactions in transcriptional regulation”. were published in renowned journals during 2015. Several papers are commented on in the The PRESTO project for structural biology highlights section. The ongoing research in the links the LiU based NSC with the LU based different research divisions are presented in the MAX-IV synchrotron facility. The collaboration following sections. project director for PRESTO is Maria Sunnerhagen. Chemistry-Highlights I. Professors Dr. Peter Nilsson was appointed Professor of Organic Chemistry during 2015.

82 III. Graduate Exams Research Highlights Alexandra Ahlner successfully IV. Rainbow dyes defended her PhD-thesis: Fluorescent dyes that can be utilized for Improved methods for detection of disease-associated protein characterization of protein aggregates, the pathological hallmarks of many dynamics by NMR devastating disorders such as Alzheimer´s spectroscopy. disease, are of great interest. Such dyes will aid in revealing the pathogenesis of these diseases

and serve as molecular tools for achieving Karin Magnusson successfully accurate diagnosis of these disorders. The defended her PhD-thesis: Poly- Nilsson lab recently presented a library of and oligothiophenes – Optical thiophene-based ligands with distinct colors probes for multimodal that could be used for detection of protein fluorescent assessment of aggregates in tissue sections (Fig. I). By biological processes replacing the central thiophene unit of an anionic pentameric oligothiophene with other

heterocyclic moities, a palette of pentameric thiophene-based ligands with distinct Leif Johansson successfully fluorescent properties were synthesized. We defended his PhD-thesis: foresee that these novel thiophene-based Asymmetric oligothiophenes pentameric ligands will expand the tool box of – Chemical evolution of fluorescent ligands for identifying a variety of multimodal amyloid ligands disease-associated protein aggregates, the common pathological hallmarks of several neurodegenerative diseases.

Madhanagopal The original paper: Anandapadamanaban A Palette of Fluorescent Thiophene-Based successfully defended his PhD- Ligands for the Identification of Protein thesis: Structural insights into Aggregates. protein-protein interactions Shirani H, Linares M, Sigurdson CJ, Lindgren governing regulation in M, Norman P, Nilsson KP. Chemistry 21, 15133 transcription initiation and (2015) ubiquitination

Raul Campos successfully defended his Licentiate thesis: Studies on molecular aspects of Transthyretin Amyloidosis

83 Fig. I. Anionic pentameric oligothiophenes (top) with distinct central chemical motifs (middle) Fig. II. Left panel: An anionic pentameric renders fluorescent ligands that can be utilized oligothiophenes (red) interacts with specific to assign protein aggregates in tissue samples lysine residues (blue) along a PrP fibrillar with distinct colors (bottom). aggregate (grey). Right panel: Microscope images of brain tissues from an untreated prion V. Oligothiophenes blocks prion disease infected mouse (top) or an prion infected mouse Prion diseases, such as Mad Cow disease, are that have been treated with an anionic aggressive neurodegenerative diseases for pentameric oligothiophene (bottom). In the which no treatment exists. Research from the same brain region, the untreated mouse display Nilsson and Hammarström labs recently a lot of vacuoles as well as less nerve cells (blue) explored the antiprion properties of compared to the treated mouse. luminescent conjugated polythiophenes (LCPs) that bind and stabilize ordered protein VI. Molecular mechanisms of prion disease aggregates and found that LCPs with specific Prion diseases are associated with misfolding chemical composition provided efficient and aggregation of prion protein (PrP) and antiprion activity in prion infected mice (Fig. afflict at least 50 mammalian species. However II). These results demonstrated the feasibility of some mammals are regarded to be prion targeted chemical design of compounds that resistant. By employing recombinant PrPs from may be useful for treating diseases of aberrant 7 different species the Hammarström lab showed protein aggregation such as prion disease. The that PrP misfolding occurs in vitro regardless if paper was high-lighted in C&E News, at the species is regarded as clinically resistant (dog Alzforum as well as in other media. and pig) or susceptible (cat, cow, human, mouse, hamster) to prion disease. All resulting amyloid- The original paper: like fibrils specifically acted as fibrillation rate Structure-based drug design identifies enhancing seeds on human PrP but human PrP polythiophenes as antiprion compounds. was unaffected by amyloid fibrils of other types. Herrmann US, Schütz AK, Shirani H, Huang D, Of specific interest it was found that pig PrP Saban D, Nuvolone M, Li B, Ballmer B, Åslund readily forms amyloid fibrils that are capable of AK, Mason JJ, Rushing E, Budka H, Nyström S, seeding human PrP, indicating that a pig prion Hammarström P, Böckmann A, Caflisch A, disease if it existed could potentially be Meier BH, Nilsson KP, Hornemann S, Aguzzi A. transmitted to humans. The results raises the Sci. Transl. Med. 7, 299ra123 (2015) question of how to detect and monitor plausible silent hosts of prion infection.

84 The original papers: The original paper: Generic amyloidogenicity of mammalian prion Resin-acid derivatives as potent electrostatic proteins from species susceptible and resistant openers of voltage gated K channels and to prions. Nyström S and Hammarström P, suppressors of neuronal excitability Scientific Reports, 11;5:10101 (2015) Ottosson NE, Wu X, Nolting A, Karlsson U, Lund PE, Ruda K, Svensson S, Konradsson P & Elinder Porcine prion protein amyloid. Hammarström F Scientific Reports, 5:13278 (2015) P and Nyström S, Prion 4;9(4):266-277, (2015) IX. A protective role of lysozyme in VII. Synthetic cannabinoids Alzheimer disease Drug abuse of synthetic cannabinoids (aka The lysosomal protein lysozyme was found to be Spice) is a growing societal problem. The upregulated in the cerebrospinal fluid of Konradsson lab’s research in the fight against Alzheimer patients and co-localized with Aβ in these drugs was highlighted in Swedish media. amyloid plaques from Alzheimer patients (Fig. E.g. Swedish television February 11 “uppdrag IIIa). The Brorsson lab did neuronal granskning”, Östgöta Correspondenten and co-expression of lysozyme and Aβ in Drosophila Swedish radio, June 8. and found reduced formation of soluble and insoluble Aβ species and improved activity of Links: Aβ transgenic flies (Fig. IIIb). This suggests • http://www.svt.se/ug/helt-andra-droger-i- that lysozyme levels rise in Alzheimer’s disease paketet as a compensatory response to Aβ increases and • http://www.corren.se/nyheter/linkoping/ aggregation. In support of this, in vitro kemistudenter-bidrar-i-kampen-mot- aggregation assays revealed that lysozyme spice-8121577.aspx associates with Aβ and alters its aggregation • http://sverigesradio.se/sida/artikel. pathway to counteract the formation of toxic Aβ aspx?programid=160&artikel=6184615 species.

VIII. Resin may provide medicine against epilepsy Hyperactivity of nerve cells is linked to epilepsy. Ion channels regulate excitability of neurons. Substances can act on potassium channels, where they keep the door open via an electrostatic mechanism, thereby curbing the harmful nerve activity. Based on the original Fig. III. a) Lysozyme (red) co-localized with Aβ molecule, dehydroabietic acid, 71 new (green) in plaques from Alzheimer’s disease molecules were synthesized in the Konradsson patients. b) Neuronal co-expression of lysozyme lab with small variations in the structure. These and Aβ in Drosophila and improved the activity were tested on a hypersensitive potassium of Aβ transgenic flies. channel that was expressed in frog eggs. Lead compounds were identified which were The original paper: highly potent through this mechanism. This Protective properties of lysozyme on β-amyloid study was highlighted in several media outlets pathology; Implications for Alzheimer disease. e.g. MedicalXpress. Helmfors, L., Boman A, Civitelli L, Nath S,

85 Sandin L, Janefjord C, McCann H, Zetterberg XI. Semi-automated resonance assignments H, Blennow K, Halliday G, Brorsson AC, in NMR spectra and new tools for analysis of Kågedal K. Neurobiol Dis. 83, 122-133. (2015) protein stability The software COMPASS used for assignment of X. Structure of a fuzzy Myc complex NMR signals in protein spectra was developed The intrinsically disordered Myc protein forms in the Lundström lab. Unlike previous software transient complexes with cell growth regulators COMPASS provides suggestions for to direct cell growth and apoptosis. While such assignments that the user has to approve. This complexes cannot be resolved by crystallography, leads to significant improvements in accuracy. we have used NMR combined with molecular Special emphasis was made to make the simulations to present the first view of such a software useful for large proteins and thus dynamic complex structure (Fig. IV). The work includes the option to correct for isotope shifts was first presented at the Benzon meeting in in deuterated proteins. Another software August 2015, and will be presented as an developed in the Lundström lab was CDpal that Invited Lecture at the Gordon Conference of is used for analysis of protein thermal and Intrinsically Disordered Proteins in 2016. chemical stability. The software instantaneously fits data to one of several models that may include intermediate states. Contrary to similar software CDpal is more versatile and flexible in terms of data format.

The original papers: Fast and accurate resonance assignment of small-to-large proteins by combining automated and manual approaches. M. Niklasson, A. Ahlner, C. Andresen, J.A. Marsh and P. Lundström, PLoS Comp. Biol. 11(1): e1004022 (2015)

Robust and convenient analysis of protein thermal and chemical stability. Figure IV. Structural model of the fuzzy complex M. Niklasson, C. Andresen, S. Helander, M.G.L. of c-Myc with the regulatory protein Pin-1. Roth, M. Lindqvist-Appell, L.-G. Mårtensson and P. Lundström, Protein Sci. 24(12):2055- The original paper: 2062 (2015) Pre-Anchoring of Pin1 to Unphosphorylated c-Myc in a Fuzzy Complex Regulates c-Myc XII. Improved sensitivity in measurements of Activity. protein excited state chemical shifts Helander S, Montecchio M, Pilstål R, Su Y, Excited state chemical shifts can be used for the Kuruvilla J, Elvén M, Ziauddin JM, structure calculation of transiently populated Anandapadamanaban M, Cristobal S, protein states and may be obtained from Lundström P, Sears RC, Wallner B, & relaxation dispersion experiments. The 13Cα Sunnerhagen M. Structure. 23(12):2267-79. chemical shift is particularly useful in this (2015)

86 regard but previous approaches to measure it computations in the Ojamäe lab. The features suffer from poor sensitivity. The Lundström lab of the C-H stretching spectra were explained in has shown that by using a simple over terms of the interaction between the guest expression scheme based on [2-13C]-glycerol as molecules and the differently sized cages the sole carbon source the sensitivity is doubled present in such structures (Fig. V). This without compromising accuracy. provides a recipe for experimental determination not only of the identities of the The original paper: hydrocarbon guest molecules but also of the Fractional enrichment of proteins using [2- host ice clathrate crystal structures. 13C]-glycerol as the carbon source facilitates measurement of excited state 13Cα chemical The original paper: shifts with improved sensitivity. CH-Stretching vibrational trends in natural gas A. Ahlner, C. Andresen, S.N. Khan, L.E. Kay hydrates studied by quantum-chemical and P. Lundström, J. Biomol. NMR 62(3):341- computations. Liu Y, Ojamäe L. J. Phys. Chem. 351 (2015) C, 119(30), 17084-17091. (2015)

XIII. Towards more individualized treatment of breast cancer The mTOR downstream effectors S6K1, S6K2, and 4EBP1 are frequently amplified and overexpressed in breast cancer associated with a poor outcome. The Lundström lab has found that genome expression profiles are highly different in S6K1 and S6K2 high tumors, whereas S6K2 and 4EBP1 profiles showed significant overlaps, notably the master regulator E2F1. In vitro silencing resulted in upregulation of genes in the mTOR complexes. Fig. V. The dependence of the C-H stretching Structural analyses of the S6K2 kinase domain frequency of a hydrocarbon molecule on the cage revealed unique features, facilitating the size in hydrocarbon ice clathrates. development of isoform-specific inhibitors. XV. Boron-Carbon chemistry The original paper: The Pedersen lab using a combination of thin Revealing different roles of the mTOR-targets film deposition experiments and quantum S6K1 and S6K2 in breast cancer by expression chemical modeling the gas phase chemistry in a profiling and structural analysis. chemical vapor deposition process using

E. Karlsson, I. Magić, J. Bostner, C. Dyrager, F. triethyl boron, B(C2H5)3, was studied. A Lysholm, A.-L. Hallbeck, O. Stål and P. decomposition mechanism for the triethyl Lundström, PLoS One 10(12) e0145013 (2015) boron molecule based on β-hydride elimination supported by hydrogen assisted ethane XIV. The vibrational spectra of natural gas elimination at low temperatures was suggested. hydrates were investigated by quantum-chemical The original paper: Gas phase chemical vapor deposition chemistry

87 of triethylboron probed by boron–carbon thin XVIII. Thin films of GaN film deposition and quantum chemical is commonly produced by CVD using ammonia calculations. Imam M, Gaul K, Stegmüller A, and trimethyl gallium as source gases. The Höglund C, Jensen J, Hultman L, Birch J, latter one contains three carbon atoms per Tonner R, Pedersen H J. Mater. Chem. C 3, gallium atom and since carbon influences the 10898 (2015) electric properties of GaN it is important to control its incorporation in GaN which is XVI. Bromine Chemistry typically done by modifying temperature and It is well known that addition of chlorine to a ratio between N and Ga in CVD. The Pedersen SiC CVD process prevents Si clustering and lab has been involved in an alternative route allows for a higher deposition rate of SiC for which is to add a carbon source to provide electronic devices. Now the Pedersen and carbon without moving out of the window for Ojamäe labs can also report that bromine has high quality GaN. A number of hydrocarbons the same effect but also renders an even higher has been tested as carbon dopants and full high deposition rate. By a combination of CVD electron mobility transistor structures have experiments, thermochemical- and quantum been grown with intentional carbon doping. chemical modeling is it also clear that the previously envisioned chemical model for The Original papers: halogenated SiC CVD is not complete. Precursors for carbon doping of GaN in chemical vapor deposition. Li X, Danielsson Ö, The original paper: Pedersen H, Janzén E, Forsberg U J. Vac. Sci. Brominated Chemistry for Chemical Vapor Technol. B 33, 021208 (2015) Deposition of Electronic Grade SiC. Yazdanfar M, Danielsson Ö, Kalered E, Sukkaew P, Carbon doped GaN buffer layer using propane Kordina O, Nilsson D, Ivanov IG, Ojamäe L, for high electron mobility transistor Janzén E, Pedersen H Chem. Mater. 27, 793 applications: Growth and device results. Li X, (2015) Bergsten J, Nilsson D, Danielsson Ö, Pedersen H, Rorsman N, Janzén E, Forsberg U Appl. XVII. Boron-Nitrogen crystals Phys. Lett. 107, 262105 (2015) The substrate material used for sp2 hybridized BN films greatly influences the crystal structure. The Pedersen lab have in a recent study shown how the crystal structure of the substrate material dictates the crystal structure of sp2 hybridized BN enabling either the hexagonal or the rhombohedral structure of BN.

The original paper: Polytype Pure sp2-BN Thin Films As Dictated by the Substrate Crystal Structure. Chubarov M, Pedersen H, Högberg H, Czigany Zs, Garbrecht M, Henry A Chem. Mater. 27 1640 (2015)

88 Analytical Inorganic Chemistry Chemistry Staff Staff • Professor: Elke Schweda • Assoc. Prof: Henrik Pedersen • Associate Professor: Johan Dahlén • Assoc. Prof: Fredrik Söderlind • Professor Em: Per-Olov Käll Glycoanalysis. Research in Analytical Chemistry is focused on analytical carbohydrate chemistry and structures of biologically active Activities carbohydrates from pathogenic bacteria. Of The research in inorganic chemistry at IFM is particular interest are the exclusively human divided into two research themes: Chemical pathogen non-typeable Haemophilus influenzae Vapor Deposition and Nanomaterials from (NTHi) and Campylobacter which is one of the solution, both focused on synthesis of solid state leading causes of bacterial food borne materials. The focus in Chemical Vapor gastroenteritis worldwide. NTHi causes otitis Deposition is thin films of mainly electronic media and both acute and chronic lower materials like the group 13 nitrides and carbides respiratory tract infections in small children. of boron and silicon, while Nanomaterials from The potential of both NTHi and Campylobacter solution is focused on sol-gel synthesis of to cause disease depends upon their surface various metal and metal oxide nanoparticles, expressed carbohydrate antigen, e.g. ZnO, CuO, ZrO2 and Cu for e.g. catalytic or lipopolysaccharide (LPS). gas sensing applications. The projects are The heterogeneity and structural complexity pronounced interdisciplinary and performed in of LPS from pathogenic bacteria pose significant collaboration between Chemistry and Materials analytical challenges. Typically, structural Physics at IFM and national and international profiling involves analyses by chemical, nuclear partners. magnetic resonance (NMR) and mass spectrometric (MS) methods. Electrospray Chemical Vapor Deposition. Group 13 nitrides (13- ionization mass spectrometry (ESI-MS) has N) are interesting electronic materials which played an increasingly important role in the already forms a corner stone in modern characterization of LPS. electronics for solid state lightening and telecommunication. The CVD research Designer drugs Collaboration with Swedish activities spans BN, AlN, GaN and InN and National Laboratory of Forensic Science – SKL focuses on developing better CVD routes for regarding the analysis of designer drugs has been these materials from a higher level of the initiated. A large number of new designer drugs deposition chemistry. The research is conducted appears on the market every year and the abuse in several projects together with researchers of such substances is steadily increasing. both at Thin Film Physics and Semiconductor Compound groups in focus are synthetic Materials as well as with national and cannabinoids and cathinones. Reference material international collaborators with funding from of target substances within these two categories KAW, SSF, VR and Vinnova. has been synthesized in collaboration with the Konradsson lab. The capabilities of GC-MS and Neutron detectors based on the isotope 10B LC-MS for the analysis of these substances are instead of 3He has been suggested by the evaluated. Sample preparation, chromatographic European Spallation Source (ESS), to overcome separation and identification are also considered. 3 10 the very limited availability of He. B4C was

89 chosen as the thin film material due to its higher The project aims at experimental and electrical conductivity and high resistance theoretical studies of the mechanistic catalytic

towards oxidation and wear compared to pure processes involved in the reactions between H2 10 B. In this project, low temperature CVD and CO2 in the formation of MeOH or Me2O. processes, both thermally activated and plasma Although the overall chemistry for these enhanced, are developed using various reactions now appears rather well controlled, organoboron molecules as single precursors for there is a considerable lack of understanding as deposition of boron carbide. This project is to the mechanistic details, in particular funded by KAW and conducted in close regarding the interactions between the surfaces collaboration with Prof. Jens Birch at Thin Film of the solid catalysts and the molecular gas Physics and with ESS. species. A high pressure reactor (autoclave) and Silicon carbide (SiC) is, apart from being a a combined GC-MS are used for experimental hard material, a semiconductor material with testing of prepared catalysts. Typical reaction excellent material properties making it a highly conditions are 50 bar and 250 °C. The project is attractive material for electronic devices for carried out in collaboration with Profs. Magnus high-power, high-frequency and high Odén at Nanostructured materials, Ulf temperature applications. The current research Helmersson at Plasma & Coatings physics, and project on CVD of SiC, funded by KAW, VR and Lars Ojamäe at Physical chemistry. SSF, done in close collaboration with Prof. Erik Janzén at Semiconductor Materials, is focused on developing new CVD chemistry for growth of isotopically pure 28Si12C. High power pulsed PECVD (HiPP-PECVD) is developed in close collaboration with Dr. Daniel Lundin at Universite Paris-Sud. The research is focused on understanding the plasma chemistry as well as fundamental deposition chemistry in the highly ionized plasma characteristic for HiPP-PECVD.

Nanomaterials from solution. Nanocrystalline metal oxide materials, e.g. ZnO, show promising properties in several aspects such as sensing material in gas sensors, coating material on solar cells, or incorporated in nanocatalysts for methanol synthesis. Nanocrystals of ZnO can be Fig VI. ZnO nanorods grown on a Si substrate produced by low cost, environmentally friendly, by wet chemistry. wet chemical methods and applied on large surfaces providing a large surface area, e.g. nanorods on silicon substrates (Fig VI. As nanocatalyst it can be used in combination with other nanomaterials in catalytic hydrogenation

of CO2 in the formation of energy rich hydrocarbons, e.g., methanol or dimethyl ether.

90 Molecular Biotechnology Staff effects of the mutations on the local dynamics • Professors: Bengt-Harald”Nalle” Jonsson, in the protein. Maria Sunnerhagen • Associate Professors: Ann-Christine Protein-Surface Interactions. Enzymes are of Brorsson, Patrik Lundström increasing use in biotechnological applications. • Assistant Professor: Martin Karlsson However, regardless of the application, the enzymes will always encounter surfaces and • Post-docs: Lotta Tegler, Cecilia Andrésen, this will often lead to that the enzyme activity is • PhDstudents: Liza Bergkvist, Jutta Speda, lost. It has been a long standing perception Alexandra Ahlner, Annica Blissing, Anna that ”soft” proteins are proteins that bind to, Hansson, Madhan Anandapadmanaban. Mikaela Eliasson, Amélie Wallenhammar and unfolds at, surfaces even when there are no apparent attractive force between the protein • Administrator: Susanne Andersson and the surface. There is however little knowledge about which features of a protein Activities that dictates whether a protein will behave as a The research activities in molecular “soft” protein or a “hard” protein, although the biotechnology have one focus on detailed physical stability of the protein is believed to characterizations of protein structure and play a crucial part. In order to discriminate dynamics at the molecular level. The role of between the importance of thermodynamic protein interactions for understanding a variety stability and kinetic stability we have at our of biological functions are addressed in disposal engineered protein variants with these different projects. The results which are gleaned properties separated. Our aim is thus to from our studies of these fundamental pinpoint which feature is the most important, biological phenomena are also utilized in so that the correct modifications can be projects, which aim at efficient diagnosis and performed on proteins that are to be used in novel strategies for treatment of some human various biotechnological applications. diseases. Another major undertaking concerns industrial biotechnology. The focus is to use Alzheimer’s disease. The aim of this project is to modern proteomic tools in combination with perform detail studies of the molecular origins protein engineering to develop efficient of Alzheimer’s disease (AD). The aggregation enzymes for use in industrial processes. process of the amyloid βpeptide (associated with AD) is studied by using Drosophila The molecular basis for the role of SOD in Amyotrophic melanogaster as a model organism, in parallel Lateral Sclerosis. The misfolding and intracellular with biophysical studies. The challenge is to aggregation of the protein superoxide identify and characterize toxic species as well as dismutase is strongly coupled to the to study the influence of cellular factors on the neurodegenerative disease ALS. To find the toxicity. Results from these studies show a clear molecular basis for ALS we perform a detailed link between neurodegenerative properties of characterization of the structural and the Aβ peptide in the central nervous system of dynamical effects of a large set of different ALS- Drosophila, and the propensity of the peptide to associated mutations in the gene for CuZnSOD. form prefibrillar assemblies that are Therefore, we have used different NMR- characterized by exposed hydrophobic surfaces methods in combination with hydrogen/ which can be probed by fluorescence deuterium-exchange experiments to unravel the spectroscopy.

91 Lysozyme amyloidosis: Misfolding and aggregation pipeline for cloning and characterization. of lysozyme are associated with lysozyme amyloidosis where abnormal depositions of Enzymatic enhancement of sludge digestibility. As aggregated protein are found in organs such as partners of the Centre of Excellence in Biogas the liver, spleen and kidney. By expressing Research, hosted by Linköping University and lysozyme in Drosophila melanogaster we can with support from the Swedish Energy Agency, study the aggregation of these proteins in a we are investigating the possibilities to enhance complex multicellular environment and look sludge digestibility with enzymes for increased into the role of specific cellular factors and biogas production at waste water treatment pathways in the pathogenesis caused by plants. To date we have concluded that the lysozyme misfolding and aggregation. Results activity and life-time of commercially available from studies using this Drosophila model enzymes is very limited in the biogas process, suggest that the onset of familial amyloid disease and that this is due to the activity of endogenous is linked to an inability of the quality control proteases in the biogas process. As an extension system in the cell to completely degrade the of that knowledge we are now attempting to amyloidogenic lysozymes prior to secretion, rationally design enzymes that better can resulting in secretion of these destabilised withstand the action of the endogenous enzymes variants, thereby leading to deposition and present in biogas reactors. Such enhanced associated organ damage. proteases could then be added at a much lower concentration, but providing the same effect Metaproteogenomics for enzyme discovery. Enzymes because of the increased life time, and thus are biological catalysts that find their use in a enzyme treatment to increase biogas production large number of biotechnological applications could be economically viable. and enzyme based industrial processes are expected to increase in the near future. One Structural biology in ubiquitination and disease. The central concern in order to realize the promise of human Ro52 protein is an autoimmune target in industrial biotechnology is then how to find Sjögren’s disease, and involved in the production novel enzymes that are active and stable at the of fetal antibodies in pregnant mothers. The various conditions of interest. In this respect Sunnerhagen group has characterised the microorganisms are an ideal source of novel interaction of the disease-related antibodies and enzymes since they can survive and propagate in are currently characterizing the subdomains of many extreme environments. However, to be Ro52 and their interactions on a molecular level, able to screen full microbial communities for and have shown that patient autoantibodies that new enzymes, methods that are independent of hinder ubiquitination interfere with the pure culturing needs to be developed. We have E2-binding surface of the E3-active RING earlier realized such methods based on “induced domain of Ro52. Most recently our high- differential metaproteomics” which now allow us resolution structure of the TRIM21-RING – E2 to identify novel enzymes with pre-determined complex together with NMR studies sheds light activity for pre-determined conditions “at will”. By on the specific interactions that direct combining this knowledge with metagenomics, i.e. ubiquitination. Taken together with our previous arriving at metaproteogenomics, we are now able studies, we can now propose an action model for to also identify the gene, i.e. the blueprint coding the RING domains of the TRIM family of for the specific identified novel enzymes. Several proteins, and for the entire TRIM21 such novel genes and enzymes are now in multimodular entity.

92 Structural biology in antibiotics resistance. MexR is a well as methodology. The Lundström lab is DNAbinding protein that regulates the active in three areas of NMR methods expression of the Pseudomonas Aeruginosa development. 1) New pulse sequences for efflux pump, and a target for antibiotic improved or novel measurements of resistance mutations leading to multi-drug conformational dynamics. We are especially resistance (MDR). The Sunnerhagen group has interested in pushing the limit for how fast previously characterized the effects of a range of motions that can be detected 2) Selective MDR mutations on protein folding and isotopic labeling schemes that allows additional stability, and have now succeeded to resolve the spins be used to probe dynamics. This is complete structure of an MDR mutated MexR desirable since excited state chemical shifts can protein. Together with molecular dynamics be recovered from measurements of dynamics simulations in collaboration with the Wallner in addition to exchange rates and populations group, we have now presented a novel 3) Software to better analyze the results of population shift model for how resistance NMR and other biophysical experiments. Our mutations disrupt function with a maintained goal is to write versatile, yet user-friendly tools fold. for the average user.

Structural biology in cancer development. The oldest Calcium-binding proteins involved in disease. Calcium characterized oncogene, c-Myc, houses a series signaling is ubiquitous in all organisms and of hotspot mutation sites leading to tumor controls numerous biological processes. One of development. The Sunnerhagen group has the most important calcium sensors is the characterized the intrinsically disordered protein calmodulin that upon increased levels properties of the transactivation domain which of calcium interacts and activates downstream appears to be a functional prerequisite for the proteins. Recently it was found that certain binding of target proteins. Our recent structural calmodulin mutations are associated with the analysis of the fuzzy complex of Myc with Pin1 heart conditions LQTS and CPVT. We want to is the first showing a functional Myc complex. understand the biophysical basis of why these Further studies of interactions between the variants cause disease. To this end, we calculate c-Myc transactivating domain and its structures of several mutants and compared regulatory co-partners using both NMR and them to that of wild-type calmodulin and in crystallography are in progress. addition measure and analyze differences in calcium affinity and dynamical properties. NMR methodology. Nuclear magnetic resonance Another example of calcium binding proteins (NMR) spectroscopy is a powerful method for we are interested in are the calcium dependent studying protein structure, interactions and proteins kinases (CDPKs) of the malaria dynamics on a multitude of time-scales with parasite. These are kinases that are regulated by atomic resolution. These areas often overlap a calmodulin like domain. Since these proteins and a counter-intuitive example of the have no human analogue they are interesting importance of characterization of protein drug targets. dynamics is that they can be used to calculate the structure of transient, ‘invisible’ states like Kinases involved in cancer. Kinases are potent folding intermediates. The increased versatility regulators of cell proliferation and and sensitivity of NMR spectroscopy in recent differentiation. Consequently, they need to be years is due to improvements in hardware as tightly regulated themselves or serious

93 Organic Chemistry conditions like tumor diseases may result. We Staff are interested in how a class of receptor tyrosine • Professors: Peter Konradsson and Peter kinases called Eph kinases are regulated and are Nilsson studying inactive and active forms of EphB2. • Senior researchers: Åsa Rosenquist, Marcus We are interested in whether activation is due to Bäck, Hamid Shirani, Wu Xiongyu a conformational switch, altered dynamics or • Post-docs: Christine Dyrager, Hanna self-association. Additional kinases that we are Appelqvist, Elisabet Öberg interested in are the proteins of the mTOR • PhD students: Katriann Arja, Mathias pathway that are involved in breast cancer. Elgland, Leif Johansson, Linda Lantz, Karin Several of these proteins, including S6K1, S6K2 Magnusson, Mattias Tengdelius. Jun Zhang and 4EBP1, are frequently amplified and over- • Administrator: Susanne Andersson expressed and associated with poor prognosis while others, including PI3K and the phosphatase PTEN, are often mutated. We are Activities characterizing these proteins biophysically and are also analyzing their effect on expression of Synthesis of functionalized oligothiophene derivatives other genes with the long term goal of with specific optical and electronic properties. By developing specific inhibitors for therapeutic combining the features of polymers and the purposes. electro-optical properties of conjugated molecules, conjugated polymers suitable for a wide range of applications, such as solar cells, displays and biosensors are created. Our research is mainly focused on creating well- defined oligothiophene derivatives through rational chemical design (Fig. VII). As a first instance we are synthesizing oligothiophenes that can be utilized as tools for studying biological and pathological process. The aim of these projects in the Nilsson lab are mainly to provide molecular tools that can be used for real time in vivo imaging of biological events from the nanoscopic level (biomolecules and cells) to the macroscopic level (organs and body). Secondly, we are also investigating if similar molecular scaffolds can be utilized as therapeutic active agents towards distinct pathological processes (see highlights). Furthermore, we are developing electro-active oligothiophene derivatives that can be combined with defined biological template molecules, such as amyloid fibrils, to generate materials that can be implemented within research areas such as nano-bioelectronics. Though a multidisciplinary collaboration with

94 other researchers at IFM and ITN, we are good colloidal stability and selective cytotoxicity aiming at develop novel materials that can be towards human colon cancer cells. used for electronic release of pharameuticals, and devices that can stimulate and record cellular activity in complex environments. n O HN

O O OR OR OR Fig. VII: General chemical structure of functionalized oligothiophene derivatives. = R H or SO3Na

Fucoidan-Mimetic Glycopolymers for Biomaterial Applications. The biological properties of the Fig. VIII. Chemical structure of monomeric marine polysaccharide fucoidan are among the building block of fucoidan-mimics. most diverse of all natural polysaccharides, including e.g. anti-inflammatory, antiviral, Synthesis of an azide-functionalized β-mannosyl anticoagulant, antitumor, antithrombotic, and triflate: An FDG precursor for PET imaging. Molecular platelet activating properties. In spite of probes for selective imaging of protein fucoidans desirable properties they have been aggregates are important to advance our scarcely used in biomedical applications mainly understanding of the molecular mechanisms due to their chemical heterogeneity, costly underlying protein misfolding diseases. We extractions and structural differences between have previously reported how the fluorescent different marine species and season of harvest. properties of specific thiophene based We have developed methods for the synthesis of oligomeric structures (Luminescent Conjugated fucoidan-mimetic glycopolymers (Fig. VIII) Oligothiophenes, LCOs) can be used for the through cyanoxyl-mediated free-radical detection of Aβ-amyloid aggregates related to polymerization and thiol chain transfer Alzheimer’s disease. In this work, the synthesis polymerization. Assays for Herpes Simples of an azide-functionalized β-mannosyl triflate Virus-1 (HSV-1) infection and platelet (azidoethyl 2-O-trifluoromethanesulfonyl-β-D- aggregation showed that our glycopolymers mannopyranoside) is described (Fig. IX). The assert the same biological properties as aim is to use the β-mannosyl triflate as a commercially available fucoidan from the “clickable” precursor to 2-fluoro[18]-2-deoxy- brown seaweed Fucus Vesiculosus. It was hence glucose (FDG), one of the most frequently used concluded that these glycopolymers were radiotracers for in vivo PET imaging. fucoidan-mimetics. Recently, fucoidan-mimetic Concerning the synthesis, it has been shown glycopolymers were used as capping agents in that having a β-configuration of the glycosidic the synthesis of gold nanoparticles yielding bond is necessary in order to obtain a sufficient fucoidan-mimetic glycopolymer coated gold radiochemical yield during the 18F labeling- nanoparticles. These nanoparticles showed step. Since β-mannosides are known to be

95 difficult to obtain by direct glycosylation, a alkyne-azide [3+2] cycloaddition, i.e., the so synthetic strategy was devised where the called “click-reaction” (Fig. X). β-glycosidic bond was formed through a 1,2-orthoester rearrangement of a gluco- derivative that subsequently was epimerized to its corresponding manno-derivative. The synthesized FDG-precursor will be conjugated to alkyne functionalized LCOs, thus rendering amyloid specific PET tracers. However, the FDG-precursor is not restricted to amyloid specific ligands, but may in principle be conjugated to any suitable ligand having affinity Fig. X. Chemical structure of a glycosylated for other biological targets. porphyrin-oligothiophene conjugate.

Synthesis of Potassium Ion Channel openers. Diterpenes and terpenoids such as abietic acid, dehydroabietic acid, podocarpic acid and pimaric acid have a broad spectrum of biological activities such as antitumor, anti- flammatory, and antiallergic. They are Fig. IX. Chemical structures and strategy for attractive to many researchers. More than 140 building clickable FDG scaffolds. derivatives of these resin acids have been synthesized in our group (Fig. XI) and tested on Synthesis of glycosylated porphyrin-oligothiophene voltage-gated potassium ion channel (Kv conjugates. Porphyrins and porphyrin-based channel) as channel openers in Elinder´s lab at compounds are of great interest in a vast variety the medical faculty. Several compounds are very of scientific areas due to their unique potent and could be potentially used as photophysical and biochemical properties. We treatment to cardiac arrhythmia, epilepsy and have recently reported a porphyrin- pain or other diseases caused by electrical oligothiophene conjugate that selectively binds hyperexcitability. to amyloid fibrils associated with Alzheimer’s Br disease which shows enhanced fluorescent properties as compared to previously used probes. In order to use these conjugates in intracellular applications, e.g., real time N imaging and photodynamic therapy, the cellular COOH O uptake of the conjugate need to be adequate. Cl modification Cl Glycosylation of the porphyrin-scaffold could COOH offer the mean to meet this requirement. For dehydroabietic acid Cl this reason, a number of azidoethyl glycosides have been prepared (Glc, GlcNAc and Gal) that COOH are readily attached to propargyl Fig. XI. Chemical structure of dehydroabietic sulphonamide-linkers, on the porphyrin- acid and derivatives thereof. scaffold, using Huisgen’s cupper-catalyzed

96 Synthesis of Designer Drugs and Their Metabolites. Detection of misfolded proteins by trans-stilbenes. Synthetic cannabinoids are a number of man- Although people live longer because of the made mind-altering compounds, which have current advances in medicine and technology, normally strong binding effect to the CB1 receptor the chance to develop a degenerative disease and are used as alternatives to cannabis. These like Alzheimer's, Parkinson's, or diabetes also drugs are used by spraying them as organic increases with age. These diseases are caused by aerosols onto herbs and sold as natural highs with protein misfolding. Accumulation of misfolding brand names like K2 and Spice, which might be proteins forms amyloid fibrils, which have been more familiar to young people. They are normally found to be associated with the pathology of marketed as ‘safe’. Actually they are not safe. They more than 20 serious human diseases. can be life-threatening and cause death because Therefore it’s important to detect the many of these compounds are poorly studied. misfolding proteins or amyloid fibrils at the There are very few reports on their toxicities. The early stage, and find stabilizers of native rate at which old synthetic cannabinoids are proteins. Transthyretin (TTR) is one of the replaced on the market with new ones as they proteins that are known to form amyloid fibrils become classified as harmful substances puts great in vivo, which are known to cause different pressure on forensic laboratories and governments. diseases. More than 60 compounds have been The parent compounds of synthetic cannabinoids synthesized in our group to be used as can only be detected in blood samples. To broaden fluorescent probes of detection or aggregation the detection window it’s necessary to find inhibitors in collaboration with the biomarkers of their metabolites, which can be used Hammarström lab. Two of the compounds SB11 as references in routine analysis of urine samples and SB14 have been found to give from suspected drug users. Several synthetic distinguishable fluorescence spectra when cannabinoid, such as AKB-48, 5F-AKB-48, JWH- bound to either native or protofibrillar TTR. 018, AM-2201, THJ-018, THJ-2201 and MMB- Others have good inhibition activity on the CHMINACA have been chosen for researches (Fig formation of TTR amyloid fibrils.

XII). More than 50 metabolites have been synthesized in the Konradsson lab and important OH biomarkers have been discovered in collaboration with Dahlén and coworkers at forensic labs.

OH O O OH N N H H N N N N HO

AKB-48 metabolite Figure XIII. The chemical structure of resveratrol used as a starting scaffold for trans- O O stilbene probes.

N N

HO

JWH-018 metabolite

Figure XII. Chemical structures of the synthetic cannabinoids AKB-48 and JWH-018 and two resulting metabolites.

97 Physical Chemistry Staff important in many processes. In a current • Professor: Lars Ojamäe project we explore heterogeneous catalysis for carbon dioxide-to-methanol conversion using • Senior researcher: Edvin Erdtman mixed metal and metal-oxide surfaces (Cu/ • PhD students: Emil Kalered, Yuan Liu ZrO2). This is a KAW-funded project in collaboration with Profs. Ulf Helmersson at Plasma physics, Magnus Odén at Activities Nanostructured materials, Per-Olov Käll and The research projects concern computational- Assoc. Prof. Fredrik Söderlind at Inorganic chemistry studies of nanostructures, chemistry. In an ongoing project together with functionalized nanoparticles, dye-sensitized Assoc. Prof. Henrik Pedersen at Inorganic metal oxide solar cells, electron transfer chemistry and Prof. Erik Janzén, Assoc. Profs. processes, heterogeneous catalysis, and water Örjan Danielsson and Olle Kordina at Semi- and hydrogen bonding phenomena. In these conductor materials we investigate reaction studies we apply quantum-chemical (QC) mechanisms in chemical vapor deposition computations and molecular-dynamics (MD) (CVD) processes by computational-chemistry simulations using national supercomputer methods facilities to address fundamental issues and In addition investigations are being conducted current problems in surface science and on gas sensor technology in collaboration with atmospheric chemistry. Prof. Anita Lloyd-Spetz at Applied physics.

Examples of sensors studied are SO2 sensors

Nanochemistry. When semiconductor materials using Pt/SiO2 devices and NH3 sensors based

are scaled down to nanometer size, many on RuO2. interesting phenomena of quantum- mechanical origin occur. Such nanoparticles Method development: programs for the will exhibit unique behaviors. We model calculation of phase diagrams and kinetics based on quantum-chemical data are being crystallites of materials such as ZnO, TiO2, ZrO2 created, as well as ab initio MD methods that and Gd2O3 and quantum dots of GaN, which are of interest in applications ranging from are useful for elucidating the mechanisms of nanomedicine to optoelectronics. In particular surface-catalyzed reactions. we design novel nanocompounds by functionalizing metal oxide nanoparticles using organic adsorbates. One such example is the dye-sensitized solar cell (DSSC). In this photovoltaic cell organic molecules are chemisorbed at a nanostructured metal-oxide

surface (ZnO, TiO2), where they act as antenna that extend the range of photon wavelengths that can be absorbed from the sunlight. The computations can explain the function of such nanosized systems. Fig XIV: Modelling CVD growth of GaN: a

Reactions at solid surfaces. Catalytic reaction GaCH3 precursor molecule at the GaN surface. mechanisms at crystalline surfaces are

98 Protein Chemistry Hydrogen bonding. In the research project Staff concerning hydrogen bonding we investigate • Professors: Per Hammarström phase transitions and proton-ordering • Professor em: Uno Carlsson phenomena involving water clusters, liquid water, ice and clathrate hydrate crystals. These • Associate professors: Lars-Göran Mårtensson, Magdalena Svensson investigations are of importance for understanding for example environmental • Visiting professor: Mikael Lindgren (NTNU, Trondheim, Norway) processes occurring in the atmosphere, the properties of ice and liquid water and the • Adjunct professor: Samuel Svensson (CBD solutions) structures and stabilities of ice clathrate crystals. In nature ice clathrates exist under the • Senior staff scientist: Sofie Nyström oceans and in the tundra where they bind large • Post docs: Sara Helander amount of methane gas. A proper • Research engineer: Maria Thörnqvist understanding of the features of these • PhD students: Maria Jonson, Raul Campos composites are essential for predicting future Melo, Anna Zimdal. Alexander Sandberg CH emission from the tundra and ocean floor 4 • Administrator: Susanne Andersson caused by, and causing, possible global warming. Activities Within protein chemistry our research is focused on structure, folding and dynamics of proteins linked to human disease, pharmacology and biology.

Protein Misfolding Diseases represent a large collection of diseases. This group includes for example the prion diseases Creutzfeldt-Jakob Fig XV: The different cavities with a guest disease and Mad Cow disease; the amyloid molecule in the ice clathrate crystal structures. diseases such as Alzheimer’s disease and Familial Amyloidotic Polyneuoropathy (Skellefteåsjukan). All these diseases are connected to specific proteins that misfolds into alternate conformations and form aggregates with different amyloid fibril structures (Fig. XVI). We are working with proteins involved in all above mentioned misfolding diseases (Aβ, Prion protein, Tau, Transthyretin). By studying the isolated proteins one by one and how they interact with each other both in vitro and in vivo we can learn more about how misfolding is initiated and how amyloid fibrils are propagated in prion-like self-perpetuating cascades. Our model systems and level of detail

99 stretch from protein-protein and protein- Our objectives are also to inhibit the formation ligand interactions in the test tube to of the toxic species of amyloid and prion behavioural and life span effects of protein diseases by using different strategies including variants and drug candidates in transgenic small-molecule binding and interactions with Drosophila melanogaster as well as in mice and molecular chaperones. human tissues. Molecular chaperones. Folding in vivo is for many proteins assisted by several protein factors such as molecular chaperones. Although proteins can fold spontaneously the chaperones suppress aggregation during folding and increase the yield. In our research we aim to gain insights into the mechanism of chaperone function that is essential for the understanding of the folding mechanism and prevention of misfolding.

Fig XVI. Electron micrograph of amyloid fibrils Thiopurine methyltransferase (TPMT) is a of Tau, a protein involved in Alzheimer’s polymorphic enzyme and a key enzyme in disease as well as other neurodegenerative treatment of childhood leukemia and disorders. Tau and the Aβ proteins and their inflammatory bowel diseases such as Crohn’s various amyloid conformations and disease. TPMT is one of the few classical prefibrillar states are subjects for intense examples of pharmacogenetics where the research in the Hammarström lab. dosages of medical drugs are directly dependent on the polymorphism of the enzyme. In collaboration with Tage Erlander visiting Lars-Göran Mårtensson in collaboration with professor Jill Trewhella we are employing small the Department of Clinical Pharmacology at angle X-ray scattering (SAXS) in combination University Hospital in Linköping are studying with other biophysical techniques to mutants of TPMT which are engineered and understand the structure and formation of biophysically characterized, using a repertoire prefibrillar species of misfolding proteins such of techniques such as enzyme activity as Aβ and Tau (Fig. XVII). measurements, circular dichroism, fluorescence and differential scanning calorimetry. In parallel we are also screening conditions to crystallize the various variants.

Fig XVII. SAXS model and far UV-CD spectra of biosynthetic soluble oligomers of Aβ believed to be neurotoxic conformers in Alzheimer´s disease.

100 Scientific Branch of Material Physics General Information Research divisions and professors • SSF Research Infrastructure Fellow (Persson) • Functional Electronic Materials: • SSF Research Infrastructure Fellow Weimin Chen, Head, Irina Buyanova (Darakchieva) • Nanostructured Materials: • EU FP7 LifeLongJoints (Högberg) Magnus Odén, Head • VINNEX Center FunMat (Spetz, Odén, • Nanoscale Engineering Division: Eklund et al.) Kostas Sarakinos, Head • SSF Synergy Grant FUNCASE (Rosén et al.) • Plasma and Coatings Physics: Ulf Helmersson, Head Nils Brenning (Adjunct from KTH, Stockholm) Summary of activities • Semiconductor Materials: Erik Janzén, The Material Physics Area is the largest Head Peder Bergman, Per-Olof Holtz, research unit of the Faculty and is Leif Johansson (Emeritus), internationally recognized as a strong research Einar Sveinbjörnsson (Adjunct Prof.), environment. It engages about 150 persons, Nguyen Tien Son, Rositza Yakimova (Emerita) Bo Monemar (Emeritus) including over 60 PhD students. The research is of a basic experimental • Surface and Semiconductor Physics: Roger Uhrberg, Head, character, but direct collaboration with Wei-Xin Ni industry is essential in many projects. • Thin Film Physics: Lars Hultman, Head, Theoretical modeling is a natural part of many Leave in absence SSF, Jens Birch, Acting Head projects. Michel Barsoum (Guest Prof., Drexel Univ.) The research activities include growth of a Esteban Broitman (Guest Prof. Carnegie- variety of material structures with different Mellon), Joseph E Greene (Guest Prof., Univ. techniques, mainly PVD, CVD and Illinois), Anne Henry , Ivan Petrov (Guest Prof., Univ. Illinois) sublimation-based. The materials studied span a broad field, such as metallic thin films, semiconductor materials, nanostructures, and Steering committee organic structures. We operate several of the most advanced Erik Janzén (Head), Jens Birch (Deputy Head), materials analysis laboratories at LiU; mostly Weimin Chen, Ulf Helmersson, Magnus Odén, in a clean room environment. The and Roger Uhrberg. characterization techniques in-clude electron microscopy (SEM, TEM, FIB, EELS, EDX, CL), Individual and coordinated excellence an array of X-ray diffraction techniques, and research programs surface sensitive techniques (ARUPS, STM, • ERC Starting Grant (Eklund) AFM, XRR, ERDA, XPS, nano-indntation), • KAW Project Isotopic Control - Ultimate partly at external synchrotron radiation Prop-erties (Janzén, Hultman, Greene, facilities, but also extensively optical, transport Abrikosov) and magnetic reso-nance techniques. We are • ERC Starting Grant (Eklund) active in building beam-lines at MAX IV and • VR Distinguished Young Researcher (Rosén) PETRA III, as well as develop-ing neutron • SSF Future Research Leader (Darakchieva) detector technology for the ESS ERIC in Lund. • SSF Future Research Leader (Eklund) Collaboration with foreign laboratories is typical for all research groups; in fact most

102 pub-lished papers have international Education co-authors. In 2015, 17 PhD theses were published in our Our research has generated high-tech divisions. industries like Norstel AB in Norrköping, The researchers are heavily involved in producing SiC substrates, Epigress AB in Lund, teaching on the basic and advanced level in producing SiC growth systems, and Impact physics, materials science, and nanotechnology Coatings AB in Linköping, developing PVD- (>30 courses). ~10 courses for PhD students are processes and equipment for functional and also given each year. decorative thin films. Graphensic AB is a spin- Prof P O Holtz is Director of the Graduate off company being the first European company Education at IFM including the Graduate on epitaxial graphene. Other recent spin-off School in Materials Science: AGORA Materiae. companies are n-Works AB providing We are host for the EC Erasmus-Mundus competence in neutron detector technologt; graduate school for Material Science and Cyclops AB who develops a novel SiC epitaxial Engineering DocMase (Odén et al.) tool; Classic WBG Semiconduc-tors AB which provide nitride based HEMT struc-tures; and Polar Light Technologies AB developing polarized light sources. We are also part of the LiU Fund Raising Campaign; www.liu.se/expanding_excellence. Several patent applications were filed in 2015.

103 Functional Electronic Materials Staff In(Ga)As/GaAs QDs and QMSs, which are • Professors: Weimin Chen, Head of Division, relevant to applications utilizing electron spins. Irina Buyanona We have studied size dependence of electron • Assistant Professors: Jan Stehr spin dephasing and the physical mechanism for spin injection loss. The effects of geometric • Post-docs: Xiaoqing Chen (Aug. 2015-), Alexandr Dobrovolsky (-March arrangements of QMSs such as double QDs 2015),Yuttapoom Puttisong (DQDs), QD clusters (QCs) and quantum rings (QRs) on exciton fine-structure splitting (FSS) • PhD students: Stanislav Filippov, Yuqing Huang, Mattias Jansson (Sept. 2015-) and spin injection efficiency were examined. We have also continued our research • Administrative/Technical staff: Susanne Andersson activities on optical, defect and lattice properties of dilute nitride-based NWs, as well as on effects of structural polymorphisms on Summary of activities these properties. Potential of these structures for optoelectronic applications, such as in We conduct scientific research on electronic, Fabry-Perot micro cavities and polarized magnetic and optical properties of nanoscale light emitters, was evaluated. semiconductor materials and nanostructures. We have also been actively involved in the The materials systems under study in 2015 education program for undergraduate students. include: (i) advanced spintronic materials based During the year, the courses in “Semiconductor on III-V semiconductors; (ii) GaP/GaNP and Technology” (TFYA39), “Perspectives on GaAs/GaNAs core/shell nanowires (NWs); (iii) Physics” (TFFM12) and “Material self-assembled In(Ga)As/GaAs quantum dots characterization by Magnetic Resonance (QDs) and QD molecular structures (QMSs); Spectroscopy” were given. (iv) ZnO-based materials and nanostructures; (v) organic semiconductors and photovoltaics. The research has been carried out mostly Highlights through close collaborations with many groups Size dependence of electron spin dephasing in InGaAs worldwide. Our aim is to obtain a better quantum dots [Appl. Phys. Lett. 106, 093109 understanding of fundamental physical (2015)] properties and a good control of materials We investigated ensemble electron spin properties, and to fully explore functionality of dephasing in self-assembled InGaAs/GaAs QDs the studied materials for applications in future of different lateral sizes by employing optical generation micro- and nano-electronics and Hanle measurements. Using low excitation photonics, spintronics, as well as in potential power, we were able to obtain a spin dephasing multifunctional devices and systems. time (in the order of ns) of the resident In the area of ZnO-based materials, several electron after recombination of negative trions topics were addressed including: (i) structural in the QDs. We showed that is determined by and optical properties of isotopically-enriched the hyperfine field arising from the frozen ZnO nanowires (NWs); and (iii) understanding fluctuation of nuclear spins, which scales with the origin of unintentional N doping in ZnO the size of QDs following the Merkulov-Efros- nanostructures. Rosen (MER) model. This scaling no longer We have conducted detailed studies of spin holds in large QDs, most likely due to a injection and spin relaxation in self-assembled breakdown in the lateral electron confinement.

104 Fig.2 A schematic picture of the effect of the lateral arrangements of QMSs on FSS.

Fabry-Perot microcavity modes in single GaP/GaNP core/shell NWs [Small 11, 6331(2015)] We showed that GaNP NWs can act as Fabry- Fig.1 Measured effective spin dephasing times Perot (FP) micro-cavities. We performed a (the filled squares) as a function of the QD comprehensive analysis of the supported cavity sizes, together with the predicted dependence modes using μPL spectroscopy complemented based on the MER model (the dashed line). is by theoretical modelling. Based on the calculated E-field distributions, a substantial the Bohr radius in In0.5Ga0.5As. The AFM images of two selected QD samples are also shown. part of the fundamental modes was concluded to be confined in the GaP core and not in the Exciton FSS in self-assembled lateral InAs/GaAs QMSs emitting GaNP shell with the smaller bandgap, [ACS Nano 9, 5741 (2015)] which facilitated a decrease in re-absorption of We investigated exciton FSS in self-organized the propagating light. The observation of the lateral InAs/GaAs QMSs including laterally- FP micro cavity modes in the GaP/GaNP core/ aligned DQDs, QCs and QRs, by polarization- shell NWs can be considered as a first step resolved micro-photoluminescence (µPL). Our towards achieve lasing in this material system work demonstrated that FSS strongly depends in the NW geometry. on the geometric arrangements of the QMSs, which effectively tune the degree of the Effects of polytypism on optical properties and band compensation between the effects of lateral structure of individual Ga(N)P NWs from correlative shape anisotropy and piezoelectric field and are spatially-resolved structural and optical studies capable of reducing FSS even in a strained QD [Nano Letters 15, 4052 (2015)] system to a limit similar to strain-free QDs. We investigated effects of structural polytypism This approach provided a pathway in obtaining on the optical properties of GaP and GaP/GaNP high-symmetry quantum emitters desirable for core/shell NW structures by a correlative realizing photon entanglement and spintronic investigation on the structural and optical devices based on such nanostructures, without properties of individual NWs. It was found that special requirements for lattice-matched structural defects, such as rotational twins in materials combinations, specific substrate zinc blende (ZB) GaNP, had detrimental effects orientations and nanolithography. on light emission intensity at low temperatures by promoting nonradiative recombination processes. On the other hand, the change in the

105 lattice structure from ZB to wurtzite (WZ) had as the optimized and promising design for negligible effects on the bandgap energies of the efficient light emitters based on GaNP NWs. GaNP alloys. Both WZ and ZB GaNP were found to have a significantly higher efficiency of radiative recombination as compared with that in parental GaP, promising for potential applications of GaNP NWs as efficient nanoscale light emitters within the desirable amber-red spectral range.

Fig.4 Schematic illustration of the optimized structural design and its impacts on defect formation and optical efficiency.

Collaborations Fig.3 Transmission electron microscopy (TEM) We have active scientific cooperation with over images of ZB and WZ regions of a GaP/GaNP 20 international groups. NW and the corresponding PL emission spectra.

Optimizing GaNP coaxial NWs for efficient light emission by controlling formation of surface and interfacial defects [Nano Letters 15, 242 (2015)] We identified and controlled formation of important nonradiative recombination centers in GaNP coaxial NWs grown on Si substrates in an effort to significantly increase their light emitting efficiency. A point defect complex (DD1), consisting of a P atom with a neighboring partner aligned along a crystallographic 111 axis, was identified as a dominant nonradiative recombination center that resides mainly⟨ on⟩ the surface of the NWs and partly at the heterointerfaces. The defect formation was found to be promoted by the presence of nitrogen and could be suppressed by protecting the optically active shell by an outer passivating shell. Based on these results, we

identified the GaP/GaNyP1–y/GaNxP1–x (x < y) core/shell/shell NW structure, where the

GaNyP1–y inner shell with the highest nitrogen content served as an active light-emitting layer,

106 Nanoscale Engineering Staff Selected Research Highlights • Associate Professor: Kostas Sarakinos Compositional modulation in • Post-doctoral researchers: Daniel Magnfält, multicomponent materials Mattias Samuelsson, Georgios Almyras Molecular Dynamic (MD) simulations • PhD Students: Viktor Elofsson, Bo Lü contributed theoretical analysis to a study • MSc Students: Laurent Souqui, Claudia focused on the structural particularities of a Schnitter, Christian Wiiand binary metallic film grown by pulsed vapor • Research Engineer: Sankara Pillay deposition using different process • Administrative staff: Therese Dannetun configurations. The main goal of the current • Associated members: Peter Münger study was to understand the correlation (Associate Professor, Theoretical Physics, between deposition flux modulation and film IFM), Robert Boyd (Senior Research microstructure evolution. We used the Engineer, Plasma & Coatings Physics, IFM) deterministic approach of MD simulations in order to scan all possible deposition regimes at an atomic level, from co-deposition to multi- Activity layering, by changing the arriving pattern of the Our research aims to provide deeper deposited species in sub-monolayer resolution understanding and utilization of the complex and precision. The immiscible system Ag-Cu interplay between materials chemistry, atomic was used as a model system, exploiting the arrangement and physical attributes to design inherent characteristic of the two species to not and create new thin film materials in an atom- form a solid solution. Structural differences by-atom fashion. Our research strategy entails between films were analyzed by means of the combined use of: (i) In situ probes for Radial Distribution Functions (RDFs). Visual monitoring microstructural evolution during inspections of deposition trajectories revealed thin film growth from the vapor phase. (ii) atomistic processes which determine the final Stochastic and deterministic growth film microstructure. This typically consists of simulations to understand atomistic processes 3D Cu-islands covered by 2D Ag-tissue-layers. that determine self-organization processes at Diffusion of near-to-surface Ag atoms to the the nanoscale. (iii) Ex situ structural tops of previously formed Cu-islands was characterization techniques to establish the identified as the most important growth relationships between synthesis conditions, mechanism for this material system. Flux structure and other physical properties. During modulation enabled to affect the length-scale of 2015, we augmented our areas of expertise by such structures, from a few atoms up to welcoming our new colleagues Dr. Georgios multilayers; this was confirmed by Almyras (advanced materials modelling by corresponding experiments (Publication: V. molecular dynamics), and Dr. Mattias Elofsson, G. Almyras, B. Lü, R.D. Boyd and K. Samuelsson (expert in thin film synthesis with Sarakinos, “Atomic arrangement in immiscible many years of industrial experience). An binary alloys synthesized far-from-equilibrium”, account of our activities during 2015 is submitted in December 2015). presented below.

107 Fig. 1. Cross-section showing 20 layers of Ag-Cu deposited on a Ag(111) substrate. Grey spheres: Ag. Bronze spheres: Cu.

Metal-on-insulator growth mechanisms Much focus was on developing a “classically exact” (i.e., comparable to molecular dynamics) atomic model of Ag on Ag(111) and other faux (111) surfaces. A code was produced and validated against experimental (STM) results on Ag/Ag(111) homoepitaxy from the literature. To simulate metal-on-insulator growth, a driving force for de-wetting was introduced by reducing the bond strength between film and substrate Fig. 2. Time-lapse of island shape evolution atoms in a bond counting scheme that from single-layered to 3D multilayered from otherwise reproduced Ag/Ag(111) homoepitaxy. kMC simulations. Layer height color-coded in a Our results show that a sequence of events (plane spacing of Ag(111)). results in 3D island morphology: i) small islands bunch up such that the second layer Nanostructure imaging of Ag-AlN Self- extends fully across the first layer, ii) islands organized thin films using corrected TEM develop low-index facets iii) fast diffusion on Probe corrected TEM is an organic part of our these facets facilitates atomic transport to the research activities since it provides nanoscale tops of islands. For comparison, homoepitaxial information crucial for understand atomistic mounds do not produce facets and diffusion mechanisms that determine film upwards is hindered by step crossing for each microstructure. Selected TEM images from our layer. These results were presented at the study on film structure formation in Ag-AlN Materials Research Society Fall Meeting 2015, and Ag-AlON thin films using pulsed sputter in Boston, USA. A manuscript is in the works deposition are presented here (Publication: and aimed for publication in 2016. (Publication: R.D. Boyd, V. Elofsson, and K. Sarakinos B. Lü, G. Almyras, J.E. Greene and K. ”Resolving the Nanostructure of Self Organized Sarakinos, “Dynamic evolution of island Thin Films Using Corrected Transmission morphology during metal-on-insulator growth Electron Microscopy", Mater. Res. Soc. Proc., in by kinetic Monte-Carlo simulations”, press). preparation).

108 Teaching The division has during the year been responsible for the undergraduate course Thin film physics (TFYA41).

Fig. 3. STEM analysis of Ag/AlN film. (a) HAADF STEM image along with (top inset) its FFT pattern, (b) BF STEM image of same area. (c) Filtered image revealing the position of individual islands (as highlighted in bottom inset) and (d) for comparison TEM image taken of Ag islands in AlON (amorphous) matrix.

Collaborations • Prof. Gregory Abadias and his research group (University of Poitiers, France) • Prof. Eric Chason and his research group (Brown University, USA); • Prof. Björgvin Hjörvarsson and Dr. Vassilios Kapaklis (Uppsala University, Sweden) • Prof. Panos Patsalas (Aristotle University of Thessaloniki, Greece) and Dr. Nikolaos Kalfagiannis (Nottingham-Trend University, UK). • Prof. Mats Halvarsson and his research group (Chalmers University, Sweden). • Dr. Björn Alling (MPI Düsselfdorf, Germamy), Dr. Grzegorz Greczynski and Dr. Hans Högberg (LiU, Sweden). • Dr. Davide Sangiovanni, Dr. Valeriu Chirita and Prof. Lars Hultman (LiU, Sweden).

109 Nanostructured Materials Staff understanding the behavior of materials during • Professor: Magnus Odén severe condition such that the next generation of hard coatings can be design for better wear • Assistant Professors: Naureen Ghafoor, Mats Johansson Jöseaar protection. The research is performed both experimentally and by theoretical simulations. • Post Doctors: Emma Björk, Klara Grönhagen, Peter Mäkie, Lina Rogström, Jianqiang Zhu Mesoporous materials and catalysis: • PhD Students: Aylin Atakan, Jenifer Mesoporous materials have pores in the size Barriero, Katherine Calamba, Ana Beatriz range of 2-50 nm, and large available surfaces Chaar, Yu-Hsiang Chen, My Duong, Isabella (500-1000 m2/g). They are used in applications Schramm, Nina Shulumba, Torkel Stenqvist, such as catalysis, drug delivery, and templating Bilal Syed, Jennifer Ullbrand, Phani Kumar Yalamanchili, Jing Yang of nanoparticles. In Nanostructured Materials, we focus on how the process parameters affect • Administrative Staff: Therese Dannetun the morphology and pore size of both mesoporous silica particles and films. Also, doping of the silica structure is performed, and General information the material is used as a template for The scientific aim of the Nanostructured nanoparticle growth for catalytic applications. Materials division conforms to the material The catalytic reactions are studied in a reactor science paradigm: understanding of the as well as with in-situ FTIR and chemisorption. synthesis, microstructure evolution, and material properties of nanostructured materials Engineering materials: of industrial interest. The group was established Aluminum alloys used as either cast automotive 1 April 2007 as a response to several research engine blocks or heat exchangers are studied. centers being granted at that time (i.e. Vinnova- The influence of small (ppm-level) additions of FunMat, VR-LiLi-NFM, and SSF-MS2E). In alloying elements on the microstructure 2009 SSF granted the group an additional evolution during both solidification and brazing Material Science program called MultiFilms is of special interest. and 2010 an Erasmus-Mundus graduate school, DocMase, with support from EC for 20 students was added. Since then, the division has added the project X-cut supported by VR and in 2013 the KAW-financed program Designed nano particles (extended in 2014) and two EU-financed projects: MC2 and SUMA2. Naturally most of the group’s research activities are related to these centers and programs.

Research programs Hard coatings: Nanostructured hard coatings can be used as protective layers for e.g. cutting tools in order to extend the cutting inserts life time. We focus on

110 Scientific highlights compared to iso-structural coherent interface • Successful recording of diffraction data from between c-TiN and c-AlN. the tool in situ during turning using our custom built, small scale turning rig at the high energy material science beamline at Petra III

Fig.1. The turning rig in operation and the resulting 2D diffraction pattern collected in situ Fig. 3. Semicoherent w-AlN show an improved during machining. stability and higher hardness at elevated annealing temperatures.¨

• Zr0.17Al0.83N/TiN multilayers perform better • A new, nontoxic method without organic than Zr0.17Al0.83N/ZrN in term of hardness and fracture toughness properties, increasing the solvents for Cu infiltration into mesoporous hardness and resistance of crack propagation silica method was developed. even after 1100 °C annealing for 2h. • In situ DRIFTS measurements shows the

• Successful synthesis of single crystalline optimum H2/CO2 ratio for the formation of TiAlN. methanol when doped mesoporous silica is used as a catalyst. • The impact of nitrogen vacancies on the high-

temperature behavior of (Ti1-xAlx)Ny alloys has been studied.

• Fig. 2. High resolution SEM images of

(Ti0.52Al0.48)Ny FIB prepared tips post annealing at 1200°C. Clear separation in a bi-phase by increasing the nitrogen content, y = 0.92. Fig. 4. FTIR spectra of C-H stretching vibrations of surface methanol after 500 min

• Magnetron sputtered TiN/ Zr0.45Al0.55N reaction. coating shows high hardness (34 GPa) at • In-situ x-ray scattering experiments in elevated temperature due to its non- combination with ATR shows the formation isostructural coherent interfaces between of mesoporous silica with additives. w-AlN rich and C-TiN rich domains. • Procurement of two new deposition systems, • Successful synthesis of crystalline Cu/Zr one for arc deposition, and one sputtering nanoparticles using pulsed plasma. system. Ab–initio calculation shows relatively higher thermal stability for the non-iso structural coherent interface between c-TiN and w-AlN

111 Plasma & Coatings Physics Collaborations Staff The division has strong collaborations both with • Professor: Ulf Helmersson national and international research groups, as • Guest Professor1: Nils Brenning well as with several groups within LiU. • Postdoc: Sadegh Askari, Michelle Marie Additionally, Nanostructured materials works Villamayor in close collaboration with industrial partners, • Ph.D. Students: Rickard Gunnarsson, including Sandvik Coromant, SECO Tools, Sebastian Ekeroth, Martin Mickant2 Ionbond Sweden and Plansee material • Senior Research Engineer: Robert Boyd composite, and with the division’s spin off • Visiting Scientist3: Tetsuhide Shimizu company Nanolith Sverige AB. • Administrative Assistant: Therese Dannetun Other highlights 1Royal Institute of Technology, Stockholm • One PhD graduated: 2Shared with Université de Lorraine, France • Nina Shulumba: Vibrations in solids From 3Tokyo Metropolitan University, Japan first principles lattice dynamics to high temperature phase stability • Dr. Naureen Ghafoor became docent. Introduction • Prof Magnus Odén was appointed visiting We are an inventive group at the forefront of professor at Ningbo Institute of Material materials synthesis using advanced plasma Science and Engineering techniques. Our goal is to address major challenges facing contemporary materials science and technology. Through a combination of experimental and theoretical tools we seek to understand the process-plasma-material interaction and to gain and exploit our unique insight.

Scientific Highlights in 2015 Designed Nanoparticles Generated by Pulsed Plasma Nanoparticle production technology utilising pulse plasmas, pioneered by the division, has been developed and expanded. It has been shown that spherical nanoparticles with controlled size, composition and crystal structure can be generated. During the past year we have expanded our portfolio of spherical nanoparticles both in terms of different compositions and average particle size in order to meet a range of bespoke applications. For example, existing optical active nanoparticles are usually composed of

112 toxic elements. We have devised methods to produce suitably active nanocrystals composed of non-toxic materials; ZnO and InN. We have the capability to produce InN nanoparticles with sizes ranging from 70 nm down to 3.5 nm as illustrated in Figure 1. The aim is to modify the optical properties of these particles still further by the addition of Al.

Fig.3. Coloured SEM image of copper nanoparticles deposited on silicon. In the centre of the image is an insulating particle which repels larger particles but attracts smaller ones. Fig 1. SEM images showing the size control of InN nanoparticles. Scale bar represents 200 nm. Reactive High Power Impulse Magnetron Sputtering (R-HiPIMS) In recent experiments involving the formation We have developed a simple and cost effective of Titanium Oxide particles we were able to approach to stabilize the sputtering process in control their shape from a cubic, to dendrimer the transition zone during reactive high-power to an interesting hybrid structure containing impulse magnetron sputtering (HiPIMS). A aspects of both shapes (Figure 2). We are now feedback control system was implemented that actively looking into exploiting this technology. automatically regulates the pulse frequency, and thereby the average sputtering power, to maintain a constant maximum discharge current. HfN films deposited using peak current regulation exhibited a stable stoichiometry, a nearly constant power-normalized deposition rate, and a polycrystalline cubic phase Hf-N with (1 1 1)-preferred orientation over the entire reactive gas flow range (Figure 4) as opposed to non-stabilised conditions. Fig 2. Left a perfect cubic single crystal nanoparticle of Titanium Oxide. Right, a similar particle with a cubic core and a polycrystalline shell.

The nanoparticles produced using the pulsed plasma method are inherently charged whist they are suspended in the reaction chamber. This can be exploited, via the use of charged Fig 4: Showing the effectiveness of the substrates, to manipulate the position of the stabilizing process. Changes in film colour particles as to form new structures, an example reflect the stoichiometry, the stability of which is of which is shown in Figure 3. improved with the new regulation process.

113 Semiconductor Materials Collaborations Staff The division works with research groups across • Professors: Erik Janzén (Head of Division) a wide range of disciplines including Peder Bergman, Per Olof Holtz, Leif Johansson (Emeritus), Bo Monemar photovoltaics, biophysics, thin films and (Emeritus), Nguyen Tien Son, Einar theoretical modelling, both domestically and Sveinbjörnsson, Rositsa Yakimova (Emerita) aboard. Commercial exploitation of our • Associate Professors (Docents): Vanya findings is achieved by working with industry Darakchieva, Urban Forsberg, Carl and though our sign out companies; TiÅ, Hemmingsson, Ivan Ivanov, Chariya Jacobi, Ionautics and PlasmAdvance. Anelia Kakanakova, Fredrik Karlsson, Olof Kordina, Plamen Paskov, Henrik Pedersen, Mikael Syväjärvi, Qamar ul Wahab • Assistant Professors, Research fellows & Lecturers: Örjan Danielsson, Jawad ul Hassan, Tino Hofmann (Guest Lecturer), Jianwu Sun, Volodymyr Khranovskyy, Gholam Reza Yazdi, Chih-Wei Hsu • Post doctors: Philipp Kühne, Houssaine Machhadani, Daniel Nilsson (ended Dec.), Ivan Shtepliuk (ended June), Jr-Tai Chen (started June) • PhD students: Nerijus Armakavicius, Chamseddine Bouhafs, Ian Booker (PhD Oct.), Jr-Tai Chen (PhD June), Martin Eriksson, Andreas Gallstrom (PhD June), Tomas Jemsson (Lic Jan.), Valdas Jokubavicius, Robin Karhu, Xun Li (PhD June), Louise Lilja, Bjorn Lundqvist, Bjorn Magnusson, Yuchen Shi (started Sept.), Pontus Stenberg, Pitsiri Sukkaew, Xuan Thang Trinh (PhD June), Thien Duc Tran (PhD Oct.), Chao Xia (PhD Oct.) • Administrative/Technical Staff: Sven Andersson, Roger Carmesten, Ildiko Farkas, Tihomir Iakimov, Rickard Liljedahl, Xinyu Liu, Vallery Stanishev, Kerstin Vestin, Eva Wibom • Visiting Scientists (at least one month stay): Michael Michailov, Bulgarian Academy of Sciences, Sofia, Bulgaria, Kateryna Shavanova, Univ. of Life and Environmental Sciences, Ukraine, Alla Tereshchenko, Odesa National Mechnikov National Univ., Ukraine, Mengyao Xie, Technical Univ. of Madrid, Spain • Visiting Graduate Students (at least one month stay): Noor Ul Ain, the Islamia Univ. of Bahawalpur, Pakistan,

114 Inna Burkova, Univ. of Life and High frequency and high power Environmental Sciences, Ukraine, Takahide Hirasaki, Tokyo Univ. of Agriculture SiC is a and Technology, Japan, semiconductor Priya Darshni Kaustik, Jamia Millia Islamia material that sustains University, Delhi, India, higher frequencies, Sean King, Univ. of Nebraska-Linclon, USA, powers and Yuliia Ruban, Univ. of Life and Environmental Sciences, Ukraine, temperatures than Yauhen Viazau, Inst. of Biophysics and Cell conventional silicon. Engineering, Belarus This leads to smaller electronics and reduced power loss, with applications in electric power distribution and power electronics in hybrid Introduction cars. Significant efforts within the division are devoted to develop high quality SiC for devices. The Semiconductor Materials Division develops One ambition is to control the involved isotopes and investigates materials for novel electronics and thereby improve its thermal properties. with the main focus on silicon carbide (SiC), The III-nitrides is a III-nitrides (GaN, InN, AlN and their alloys) class of materials that and graphene. The goal is to resolve exhibit extremely good fundamental and application-motivated issues high-frequency of interest for Swedish and European characteristics, in addition industries. The research activities within the to their outstanding light division cover a broad spectrum dominated by emitting properties. A basic research, mainly funded by Swedish and project within the division aims to develop the European agencies, partly with industrial nitride material for high electron mobility collaboration. There is a strong international transistors, with applications in the next cooperation within most research projects. generation high-speed data transmission systems. Current research activities The division has recently gained attention • Growth, simulation and characterization of epitaxial films and bulk crystals. also for graphene, in particular for a high temperature fabrication process of graphene on • Investigations of crystal defects and doping. SiC. The exceptionally high carrier mobility in • Development and studies of nano- and graphene makes it a promising material for new heterostructures. devices operating up to the terahertz frequency The growth is based on chemical vapor range. deposition (CVD) or sublimation techniques while the characterization includes surface and Novel light sources interface properties as well as structural-, The optically efficient III- optical- and transport properties probed by nitrides have enabled new and techniques such as photoluminescence energy efficient light sources, spectroscopy, magnetic resonance, DLTS, such as LED-lamps and blue ellipsometry, XRD, photoelectron spectroscopy lasers. Within the division, and microscopy. there is a constant activity for deepening the understanding of

115 the III-nitrides and for improving the material Swedish Strategic Research Foundation (SSF), quality in order to further enhance its light Swedish Energy Agency, Swedish Innovation emitting performance. Agency (VINNOVA), European Defense One challenge tackled by the division is to Agency (EDA/FMV) and EU. In addition there develop a III-nitride based light emitting is a strong support from and an intimate material for deep ultraviolet LEDs. The cooperation with several industries, mainly disinfecting properties of ultraviolet light can Norstel AB, and Aixtron AB, and with the be utilized for water cleaning. III-nitride or SiC Defense Research Institute FOI. based single-photon emitters are fabricated and investigated for their potential use in quantum information applications. Other optically Selected research projects efficient materials, e.g. zinc oxide (ZnO), are Major national projects also studied. Isotope project – A major part of the KAW grant is devoted to isotope enriched SiC, mainly for Special events 2015 improved thermal conductivity. Isotope enriched SiC layers manifest a number of Vanya Darakchieva selected for SSF's interesting properties useful for scientific and research infrastructure fellows industrial applications. Among them is a very The goal of this project is to build upon current narrow spectral linewidth, which enables developments of the only Terahertz (THz) detailed measurements of defect centers. ellipsometer in Europe and establish a central Another interesting phenomenon of the open-access facility at IFM, Linköping enriched layers is that they exhibit significantly University: The Terahertz Materials Analysis higher thermal conductivity due to a reduced Center (THeMAC). The vision is that THeMAC isotope scattering process in the material. will address current and future needs of During 2015 we have continued to investigate fundamental and applied research in materials suitable process conditions for SiC epitaxy from

science, physics, chemistry, life sciences, SiF4, which is one of few precursors for isotope defense, medicine, and ultra-fast pure 28Si. By combining experimental work communication. with thermochemical modeling we have managed to gain a much deeper understanding Career grant to Volodymyr Khranovskyy of the growth chemistry, and how to control the Volodymyr received the Marie Sklodowska growth zone using this precursor. Curie International Career Grant 2015 from the PI: E. Janzén. Swedish Research Council (VR) for "Development of novel two-dimensional SiC – the Material for Energy-Saving Power Electronics functional oxide materials and their integration – started in 2012 and is funded by SSF for four into future 'green' electronics". years. The project focuses on determining, understanding and improving material related issues in SiC epitaxy and gate dielectrics, which Research funding today are the limiting factors for the SiC power The turnover for research in our division was device technology. The project includes: (i) about 52.6 MSEK during the period 150101- Understanding and control of carrier lifetime 151231, including depreciation costs for limiting defects in SiC material and devices, (ii) equipment. The major part of this budget Characterization and identification of device- comes from external sources. The faculty critical epitaxial defects, (iii) Investigating novel support for research was about 7 MSEK for the alternative gate dielectrics and novel fabrication year. External grants originate mainly from the techniques, (iv) Develop on-axis and/or low-off Swedish Research Council (VR), the Knut and angle epitaxy for power device applications and Alice Wallenberg Foundation (KAW), the (v) Develop Cl-based epitaxy for high growth rates.

116 Quantum chemical calculations of High Power Microwave (HPM) is a research topic to thermochemical properties of halogenated Si investigate how resistance GaN is towards high and C species were done to be able to make more power microwave. It is of importance when precise calculations of the adsorption of these more of the electronic components are species on SiC surfaces, and of thermodynamic integrated and can be exposed to microwaves, equilibrium conditions in the Si-C-H-X systems for example close to an antenna. Also, more (where X = Cl, Br or F). This work has led to a reliable sensors can be developed which could deeper understanding of the growth chemistry increase safety in air transport. Since GaN is a when using halogenated precursors, which will wide band gap material, it can handle large help us to develop and improve the Cl-based power at high temperature, which would be the epitaxy process for high growth rates. case if a GaN transistor would be exposed to a Detailed studies of the connection between HPM pulse. During the year, intentional carbon deep level defects and carrier lifetime in 4H-SiC doped GaN HEMT structures have been have been made by electrical and optical evaluated for this purpose. The advantages with characterization of hundreds of epitaxial layers. these structures are a more confined two The overall conclusion is that the carbon dimensional electron gas as well as reduced vacancy defect is the dominant recombination trapping effects in the GaN. The project is center and limits the carrier lifetime in 4H-SiC. collaboration with Chalmers (processing) and PI: E. Janzén. SAAB (transistor evaluation). PI: E. Janzén.

Bridging the terahertz gap – In this project, THz ellipsometer - The core of a new Terahertz financed by KAW, the Semiconductor Materials Materials Analysis Center. A new rotating- Division is working in close collaboration with analyzer Terahertz (THz) ellipsometer Chalmers University in Gothenburg and KTH in operating in the range of 0.1 – 1.0 THz and at Stockholm to develop new electronics for variable angles of incidence (28 – 90°) have telecommunication in the terahertz frequency been built in the Semiconductor Materials range. Excellent materials for the active area of Division. This unique instrument provides such devices are expected to be indium nitride quantitative information on the free charge (InN) or indium rich indium gallium nitride carriers (mobility, effective mass, density and (InGaN). The Semiconductor Materials Division sign) and THz optical properties of complex is here focusing on understanding and developing and nanostructured materials. We have the synthesis of high quality, smooth InN and demonstrated first successful measurements of InGaN layers by chemical vapor deposition. The record high mobility in two dimensional challenge lies in the huge lattice mismatch electron gas in AlGaN/GaN transistor between InN and the underlying layer, i.e. GaN, structures, conductivity of polymer thin films which often leads to the formation of islands (PEDOT) and in-situ determination of ambient instead of flat layers due to the strain relaxation. effects on the free-charge carrier properties of An alternative approach for this is to steer the monolayer graphene. PI: V. Darakchieva. synthesis chemistry from the gas phase to the surface by using an atomic layer deposition approach where the In and N precursor molecules are sequentially pulsed into the reactor to saturate the surface with either In or N atoms. The surface chemistry of the In-saturated surface may break down the N precursor at low temperature, allowing a low overall synthesis temperature. Such idea has been proven viable for AlN, however, not for InN to the best of our knowledge. The facility was installed in 2015 and the process is under development. Partner: E. Janzén. Our new THz ellipsometer setup.

117 European projects GraphOhm is an ongoing EU Joint Research OSIRIS – Optimal SIC substRates for Integrated Project that started June 2013 on Quantum Microwave and Power CircuitS – is funded by the resistance metrology based on graphene. Our ECSEL Joint Undertaking, aims at substantially contribution is epitaxial graphene on SiC. R. improve the cost effectiveness and performance Yakimova is Researcher Excellence Grant (REG) of gallium nitride (GaN) based components. holder in this project. Within the project an innovative SiC material We have also been providers of graphene on will be developed, using single isotopic atoms for SiC in the Nano-RF project, which is an ongoing Si and C. This material will offer thermal collaboration on Carbon Based Smart Systems conductivity improvements of up to 30%, as For wireless applications. Partner: R. Yakimova. compared to regular SiC. Such improvements During 2015, we participated in a project are important for devices dissipating a lot of within the Marie Curie Actions Research power, in particular in SiC power electronics and Fellowship Program. BIOSENSORS-AGRICULT in microwave devices using GaN high electron is a project on developing nanotechnology-based mobility transistors (HEMT) grown on SiC semi- biosensors for agriculture, with partners from insulating substrates. For microwave GaN/SiC France, Latvia, Belarus and Ukraine. Four HEMT this isotopic approach could create a researchers where involved in the staff exchange complete shift in the currently used substrate / scheme of IFM during 2015. Partner: R. Yakimova. GaN epi-wafer technology. The project, which started in May 2015, is Publications funded for 36 months. The partners in the Research activities in this division during 2015 project are III-V lab (FR), Intraspec have produced 75 articles published in well- Technologies (FR), UMS France (FR), CNRS recognized international journals or peer (FR), Isosilicon AS (NO), Slovak University of reviewed conference proceedings as well as 1 Technology in Bratislava (SK), Ascatron AB (SE), book chapter. During the year, 13 invited talks Norstel AB (SE), and Linköping University (SE). were given by our staff at international Our role in the project is to develop and grow conferences or symposia. The researchers of the the isotopic SiC material. Semi-insulating division are well cited in international journals material for GaN HEMT will be grown on with more than 29700 ISI citations in total. on-axis substrates and N+ material for PiN and Details and highlights of the research work as Schottky diodes will be grown on off-axis well as updated publication lists are available at substrates. We will also grow the AlGaN/GaN our website: www.ifm.liu.se/semicond. HEMT structures on the SI on-axis material. We have successfully grown semi-insulating (resistivity > 1010 Ωcm) 4H-SiC material on full Selected research highlights 100 mm diameter on-axis wafers, without 3C Spectral signatures of high-symmetry polytype inclusions. quantum dots PI: E. Janzén Quantum dots with at least three symmetry Deputy coordinator: Ö. Danielsson planes provide a very promising route for the generation of entangled photons for quantum The Graphene flagship started in October 2013, information applications. The great challenge involving 126 academic and industrial research to fabricate nanoscopic dots of high symmetry groups in 17 European countries with an initial is complicated by the lack of characterization 30-month-budget of 54 million euro. We are techniques able to resolve small symmetry partner in this project with focus on sublimation breaking. Here, we present an approach for growth of graphene on SiC. This initiative will identifying and analyzing the signatures of help us to implement our ideas how to scale up symmetry breaking in the optical spectra of the production of graphene. In 2014 the spin off quantum dots. company Graphensic joint Graphene Flagship as • K. F. Karlsson et al., New J. Physics 17 103017 associate member. PI: R. Yakimova. (2015)

118 Cavity-enhanced optical Hall effect in electronic devices by a factor ten. Addition of Cl two- dimensional free charge carrier gases enables formation of molecules with Si-Cl bonds, detected at terahertz frequencies which are stronger than Si-Si bonds preventing Optical Hall effect measurements at THz formation of silicon clusters. By using either HCl frequencies allow the determination of free or HBr gas as additive we show that brominated charge carrier concentration, effective mass and chemistry leads to the same high material quality mobility at frequencies relevant for future high and control of material properties as chlorinated frequency device chemistry. applications. Previous • M. Yazdanfar et al., Chem. Mater, 27, 793 experimental approaches (2015) used large external magnetic fields to Light emission enhancement of ZnO films produce measurable There is of great importance to increase the optical Hall effect signals. efficiency of light emitting devices. Here, we have Here, we demonstrate a investigated a planar structure consisting of a new avenue, which thin film of light emitting zinc oxide (ZnO) on a makes use of resonances layer of graphene on a silicon carbide substrate. in an optical cavity thereby enhancing the signal It is revealed, by optimizing the films thickness, significantly. This allows the use of permanent the light emission can be enhanced up to 650% magnets and thereby simplifying the experiment for visible and 360% for ultraviolet light. This substantially. phenomenon is attributed to the formation of • S. Knight et al., Opt. Lett. 40, 2688 (2015) the nanosized cavity in the light emitting medium, with graphene as back reflector. Single photons from a hexagonal • V. Khranovskyy et al., Carbon 99, 295 (2016) micro-pyramid Single photon sources are both of fundamental Li induced effects in the electronic structure interest and a common condition for quantum of graphene grown on C-face SiC information applications. Here, we report on In this study, the effects induced in the electronic single photon emission from an InGaN quantum structure of C-face graphene are investigated dot formed on the apex after depositing similar amounts of Li and after of a site-controlled heating at similar temperatures as earlier done hexagonal GaN for Si-face graphene. The essentially undoped micropyramid. An graphene became electron doped after Li approach to efficiently deposition (1014 cm-2). Most of the Li had suppress uncorrelated intercalated after heating at 280 °C with a emission from the significant reduction pyramid base with a in the electron doping. processed metal film is Higher temperatures demonstrated to significantly enhance the led to desorption of Li signal-to-background ratio of the emission. from the sample and • T. Jemsson et al., Nanotech. 26, 065702 (2015) at 1030 °C Li could no longer be detected. Brominated chemistry for chemical vapor • L. I. Johansson et al., deposition of electronic grade SiC J. Vac. Sci. Technol., A 33, 061405 (2015) We present a direct comparison between chlorinated and brominated chemistry for chemical vapor deposition (CVD) of SiC. Addition of chlorine to the gas mixture reduces the time needed for growth of SiC layers for

119 Deposition of AlN doped by silicon: insights more free holes, InN becomes again n-type from interaction between precursors conductive. Here, we demonstrate that the The incorporation of dopant and impurity switch from p- to n-type conductivity in InN atoms into the material can be much affected by doped with Mg correlates with the formation of the reactions between precursors in the gas- stacking faults. We also determine the structure phase and boundary layer in metal organic of the stacking faults and their role for the chemical vapor deposition (MOCVD). We reduction of electrons mobility in highly Mg address aspects of the gas-phase interaction doped InN. between precursors underlying the MOCVD of • Khromov et al., Appl. Phys. Lett. 106, 232102 the ultimate wide-band-gap semiconductor AlN (2015) doped by silicon, for which there is no previous deliberation. Therefore, we build a better Optical properties and Zeeman spectroscopy understanding for the actual deposition process of Nb in SiC of a modern-technology-relevant AlN material Foreign atoms in a semiconducting material can for the development of deep ultraviolet light- modify its properties, thus helping in achieving a emitting diodes. material with desired electrical or optical • R.B. dos Santos et al., J. Phys. D: Appl. Phys. 48, properties. In this work, we explore in detail the 295104 (2015); R.B. dos Santos et al., Dalton optical properties of Nb in several crystal Transactions 44, 3356 (2015); A. Kakanakova et modifications of SiC and show that this element al., oral presentation at ICNS-11, Beijing, China replaces two neighboring atoms in the host lattice. Our results demonstrate that Nb in SiC Structural properties of graphene grown by can be an important candidate for implementing high-temperature sublimation on 4H-SiC single photon emitters in SiC for quantum We report the growth of few layer graphene by communication applications. high- temperature sublimation. The effect of • A. Gällström et al., Phys. Rev. B 92, 075207 growth temperature on the graphene number of (2015) layers and crystallite size is investigated and

discussed in relation to graphene coverage and Shallow donor in natural MoS2 thickness homogeneity. The properties of the Molybdenum disulphide (MoS2) has recently interface between the C-face graphene and the emerged as one of the most promising two- SiC substrate are identified, exhibiting an dimensional semiconductors for field-effect amorphous structure composed of Si, O and C. transistors, • C. Bouhafs et al J. Appl. Phys. 117, 085701 integrated circuits, (2015) phototransistors and sensors. However, the Stacking faults and conductivity reversal in donor that gives rise InN doped with Mg to free carriers in the Applications of InN in devices is still not advanced electronic known. In this work devices depend on we combine electron achieving accurate paramagnetic resonance and density functional control of p-type theory calculations, and show that the shallow doping in the material. donor responsible for the natural n-type

The only working conductivity in bulk MoS2 is rhenium (Re) with acceptor in InN is Mg. an ionization energy of ~26 meV. However, if Mg • N.T. Son et al., Phys. Status Solidi RRL 9, 707 concentration in InN is (2015) increased above certain Please visit www.ifm.liu.se/semicond for limit, instead of having details and more highlights.

120 Student theses Olof Norén: Epitaxial and bulk growth of cubic silicon carbide on off-oriented 4H-silicon Doctoral theses carbide substrates Thien Duc Tran: Electronic properties of Andréa Nicollet: The influence of growth intrinsic defects and impurities in GaN temperature on CVD grown graphene on SiC Ian Booker: Carrier lifetime relevant deep levels in SiC Chao Xia: Characterizations of as grown and Teaching functionalized epitaxial graphene grown on SiC The division is very active in teaching and it has surfaces responsibility of about 20 undergraduate and Xun Li: CVD solutions for new directions in SiC graduate courses at IFM. and GaN epitaxy Jr-Tai Chen: MOCVD growth of GaN-based high electron mobility transistor structures Undergraduate & master courses Andreas Gällström: Optical Characterization of offered 2015 Deep Level Defects in SiC • TFFM08 Experimental Physics (Son) Xuan Thang Trinh: Electron Paramagnetic • TFYY51 Engineering Project Y (Forsberg) Resonance Studies of Point Defects in AlGaN • TFYY70 Physics of Cond. Mat. I and SiC (Virojanadara) • TFYA20 Surface Physics (Virojanadara) Licentiate thesis • TFYY57 Nanophysics (Paskov) Tomas Jemsson: Time correlated single photon • TFYA15 Models in Physics (Karlsson) spectroscopy on pyramidal quantum dots • TFYY68 Mechanics (Hemmingsson) Master theses • TFYY55 Physics (Bergman) Yi-Chieh Chung: Transparent amphiphobic coatings based on metal oxide films and nanocomposites PhD courses offered 2015 Jonathan Cygnaeus: Investigation of optimal • CAD of scientific use (Kordina) Hillas Parameter cuts on extensive air showers • Electrical characterization of semiconductors for Cherenkov Telescope Array (Sveinbjörnsson/Hemmingsson) Anna Håkansson: Probing graphene interfaces • Nanoscale phenomena on surfaces and by mediated bioelectrocatalysis interfaces (Yakimova/Michailov) Kevin Maed: Graphene growth on SiC under Ar • MOCVD (Kakanakova) ambient and H intercalation • Semiconductor physics I (Darakchieva/ Ivanov /Karlsson)

121 Surface and Semi- conductor Physics Popular science activities Staff The Semiconductor Materials division arranged • Professors: Roger Uhrberg, Head of a study visit by about 70 junior high school Division, Wei-Xin Ni, Göran Hansson students from Vadstena with help from the • Assistant lecturer: Peter Andersson Biomolecular and organic electronics division. • Teaching assistant: Maria Pihl The students spent 3 hours at IFM, learning • Post-Docs: Weimin Wang, Hafiz Muhammad about our research and its relation to energy and Sohail, Renxu Jia sustainable development. They participated in • Ph.D. student: Jalil Shah lectures about semiconductor growth, energy • Adm/Techn. staff: Kerstin Vestin, adm. asst., saving power electronics and organic solar cells. Chun-Xia Du, senior research eng., Ph. D. The youth also visited our research labs with exciting hands-on experiments and demonstrations. The event involved five senior Activities researchers and three PhD students. Two high-school students spent one week The research within the division of Surface and with us for semiconductor physics related Semiconductor Physics includes the following project works. fields. Firstly, basic studies are made of the electronic and atomic structure of surfaces, either clean or with well-characterized overlayers. Foreign atoms on a surface may result in a large variation of ordered atomic structures, i.e., surface reconstructions. Physical and chemical properties depend on what reconstruction is formed. Various physical properties are studied using a range of different techniques. The most important one is Tove and Angelica, high-school students from photoelectron spectroscopy from which one Birgittaskolan, simulated strain in GaN can obtain a complete determination of the structures. surface electronic structure. These studies are performed at the synchrotron radiation facility, Our division also participated with exhibitions MAX-lab in Lund, Sweden. Another important and hands-on experiments at LiU’s Popular technique that we use is scanning tunneling Science Week, mainly targeting high-school microscopy (STM) that provides information students and teachers. We demonstrated the about the atomic structure of the different effects of polarized light in connection to our surfaces. A variable temperature STM research on ellipsometry. (Omicron) in our lab at IFM is the major Fredrik Karlsson, Olle Kordina, and Philipp instrument used for these studies. Over the Kühne visited Soltorgsgymnasiet in Borlänge and period of several years we have also built up an talked about semiconductor light emitters, experience in theoretical studies of various electricity usage and SiC based power electronics, systems. We find the capability to do both and graphene respectively. experimental and theoretical studies quite In total, more than 160 youths and 25 teachers important. It gives us the advantage that we visited our division in order to learn more about can approach a problem from both the semiconductor materials during 2015. experimental and theoretical side to obtain a

122 complete picture of the electronic and atomic Highlights structure. 1) Silicene, the two-dimensional (2D) allotrope Within this field, the division is supported by a of silicon has very recently attracted a lot of grant from the Swedish Research Council (VR) attention. It has a structure that is similar to to study the electronic and atomic structure of graphene and it is theoretically predicted to surfaces, surface alloys, and silicene (Roger show the same kind of electronic properties Uhrberg). which has put graphene into the focus of large Secondly, there are studies, development and research and development projects world-wide. application of silicon-based molecular beam In particular, a 2D structure made from Si is of epitaxy (MBE), which is a crystal growth high interest because of the application technique to produce advanced semiconductor potential in Si-based electronic devices. structures for fundamental physics and device However, so far there is not much known about studies. We have also built up competence and the silicene band structure from experimental process capability for the development of some studies. Scanning tunneling microscopy (STM) device modules like SiGe-heterojunction results reveal a Ag(111) surface that is bipolar transistors (HBT) and metal-oxide field homogeneously covered by the (“2√3×2√3”) effect transistors (MOSFET) for applications in silicene which exhibits an additional quasi- optoelectronics, rf technologies and power- periodic long range ordered superstructure. electronics. The homogeneous coverage by the (“2√3×2√3”) Within this field, Wei-Xin Ni is supported by one silicene facilitated an angle-resolved research grant from VR for studies of the silicon photoelectron spectroscopy (ARPES) study epitaxy on silicide templates for applications in which reveals a silicene band structure of extremely high frequency HBT technologies. unprecedented detail. Here, we report four We are extensive users of the synchrotron silicene bands which are compared to radiation facility MAX-lab in Lund and over the calculated dispersions based on a relaxed years we have built up experimental equipment (2√3×2√3) model. We find good qualitative at two different beam lines. One of us, Uhrberg, agreement between the experimentally is working actively with the angle-resolved observed bands and calculated silicene bands of photoelectron spectroscopy (ARPES) beam σ character. (W. Wang, W. Olovsson, and R. I. line, which is one of the first seven to be built at G. Uhrberg, Phys. Rev. B 92, 205427 (2015)). MAX IV.

Courses The division has during the year been responsible for the following undergraduate courses for students within the Engineering Programs and the International Masters Program on Material Science and Nanotechnology: TFYA38 Optoelectronics (Ni), TFYA77 Fundamentals in Material Science (Ni), TFYA25 Physics of Condensed Matter, part II (Uhrberg). PhD course: Solid State Physics I (Uhrberg)

123 CMOS technology with enhanced carrier transport in the channel region, and other applications e.g. in optoelectronics.

The growth technology is based on the necking mechanism developed by Fitzgerald et al. at MIT, combined with an innovative idea using a proper intermediate layer in the pattern region in order to engineer the dislocation propagation dynamics at the hetero-interface. As depicted in Figure 2, the lattice mismatch in the grown sample was rather fully released (> 95%) via dislocation trapping along the pattern edges, while a threading dislocation free Ge buffer layer was successfully grown. For a comparison, Fig. 1 (a) Valence band dispersions of “2√3” the growth experiments were also carried out silicene on Ag(111) obtained by ARPES. Three with the same conditions but no patterns or dispersive silicene bands, S , S and S , are 1 2 3 using other intermediate layer materials. In observed around ¯Γ . A fourth silicene related those cases, the Ge layer could be highly feature, S is observed as an almost flat band at 4, relaxed, but the Ge layer was defected with a E close to ¯Γ . (b) Constant energy contours F high density of threading dislocations. (Wei- obtained at 0.5 and 1.0 eV below E . (c) Top and F Xin Ni) side views of a unit cell of the relaxed model of (2√3×2√3) silicene on Ag(111). Only the Si atoms (blue) and the first layer Ag atoms (grey) are included. (d) Calculated band structure for (2√3×2√3) silicene on Ag(111) where only contributions from the Si atoms are plotted. The Σ1-Σ4 bands correspond to the experimental

bands S1-S4.

2) Following the earlier experience and success in fabricating various Si/SiGe-based two- or three-terminal devices using layered or low- dimensional Si/SiGe-heterostructures made by MBE, with improved performance in RF- and (a) (b) photonic-applications, the group continues its effort in making high quality Si-based epitaxial structures for advanced device applications. The group has recently focused on studies on the growth kinetics in a low flux regime, in order to enable the controlled growth of Si layers on some silicide or silicon-carbide (SiC) templates, for new devices. (c) (d) Another recent effort is trying to grow Figure 2. (a) and (b) are correctional TEM threading dislocation free Ge buffer layers on micrographs of the Ge buffer layer grown on an Si(100) to produce virtual substrates that are intermediate layer with or without designed demanded for the successive growth of patterns; (c) is a plane-view TEM revealing the Ge-based or GaAs/InGaAs-based formation of a misfit dislocation network at the heterojunctions for pursuing the nano-scaled

124 interface and trapping of dislocations along the pattern edges; and (d) is a 2D reciprocal space map showing a nearly fully relaxed Ge buffer layer.

3) Alloying surfaces with small amounts of a foreign atom is a method to modify both the atomic and electronic structure. This is here exemplified by alloying of arsenic into the first Figure 4. Surface state dispersions obtained by atomic layer of a Ag(111) crystal. The hexagonal ARPES along symmetry lines of the surface Brillouin zone. S , S and S are surface bands structure of clean Ag(111) turns into a rippled 1 2 3 which show a √3×√3 periodicity. The split of S structure as illustrated by the STM image in 2 into two bands S + and S - is a consequence of Fig. 3. Each bright blob corresponds to an As 2 2 atom forming a local √3×√3 periodicity. Due to the rippled structure of the surface. surface strain there is a long range rippling of the surface. Assignments 1. Advisory committee of the 7th International Silicon-Germanium Technology and Device Meeting (2014 ISTDM, Singapore, June 2-4, 2014). Ni. 2. Scientific program committee of the EMRS symposium K: Transport and photonics in group IV-based nanodevices (Lille, France, May 11-15, 2015). Ni.

Collaborations There is extensive collaboration with other Figure 3. STM image of an As/Ag(111) surface groups at IFM for the characterization of MBE- alloy. Image size a 7.3×10.4 nm2. grown structures, in particular the divisions of Semiconductor Materials and Thin Film The electronic structure of the rippled surface Physics. External collaboration has been done alloy shows significant differences compared to with, e.g., groups at Johannes Kepler non-rippled surface alloys of which Sn/Ag(111) Universität (Prof. G. Bauer, Dr. T. Fromherz), √3×√3 is an example. A striking effect is that National Nano Device Labs in Taiwan (Drs. M.-N. Chang and J.-M. Shieh), Tsinghua the S2 band is split into S2+ and S2- and that these bands are no longer symmetric around University (Dr. D.-G. LiU). No. 25 Research the M point of the surface Brillouin zone. (Jalil Institute of CETC (Drs. K.Z. Tan, and J. Zhang). Shah et al.) In some projects involving synchrotron radiation we collaborate with Dr. K. Sakamoto, Chiba University, Japan.

125 Thin Film Physics Organization The Division is organized in six groups based Greczynski, Group Leader, Björn Alling, Valeriu Chirita, Fredrik Eriksson, Jens Jensen, on research leaders and topics: Martin Magnuson, Galia Pozina, Gueorgui Nano-materials Science (J Birch) Gueorguiev Materials Design (J. Rosén) • Assistant Professors or Lecturers w/o Docent Energy Materials (P. Eklund) degree: Ching-Lien Hsiao, Magnus Electron Microscopy of Materials (P. Persson) Garbrecht, Iris Pilch, Susann Schmidt Fundamental Science of Thin Films (G. • Researchers: Carina Höglund, ESS AB, Jun Greczynski) Lu, Per Sandström, Lars-Åke Näslund Functional Materials (H. Högberg) • Post Docs: Árni Sigurdur Ingason, University of Iceland, Biplab Paul, IIT Kharagpur, Camille Pallier, Univ. Bordeaux, Arnaud le Brief overview Febvrier, Univ. Nantes, Oleksiy Vozniy, The Thin Film Physics Division conducts Ukraine, Igor Zhirkov, Tomsk State application-inspired basic research on thin University, Junaid Muhammad (LiU/RWTH films to fundamentally understand the Aachen), Hanna Fager, LiU, Justinas Palisaitis, LiU / Jülich, Nils Nedfors, Uppsala atomistic nature of materials properties and Univ, Martin Dahlqvist, LiU, Olof Tengstrand, behavior and learn how to make materials LiU, Aurelija Mocküte, LiU, Sit perform better through new methods of Kerdsongpanya, LiU, Jeremy Leroy synthesis and processing. Our research Schroeder, Purdue University (until Aug., now concerns design of new multifunctional Micron Techology, Boise, Idaho), Mikhail Chubarov (until Aug., now SiMAP, Grenoble), materials for hard and wear-resistant coatings, Agne Zukauskaite (until Jan 2015, now energy materials, magnetic materials, Fraunhofer Inst.) electronics, neutron-converting materials for • PhD Students: Mikhail Chubarov (Mihails the ESS, wide-bandgap semiconductors, and Cubarovs), PhD 2015, Cecilia Goyenola, PhD more. Results are explored in collaboration with 2015, Sit Kerdsongpanya, PhD 2015, industry and the properties of structures unique Konstantinos Bakoglidis, Daniel Edström, to thin films form the basis for new and Annop Ektarawong , David Engberg, Mathias Forsberg, Amin Gharavi , Joseph Halim, also improved materials and processes in at Drexel University, USA, Tuomas Hänninen, applications. Linda Karlsson, Chung-Chuan Lai, Ludvig Landälv, industry PhD Student, Sandvik, Mewlude Imam (Yimamu Maiwulidan), Staff Rahele Meshkian, Marlene Mühlbacher also • Professors: Jens Birch, Acting Head of at Leoben Univ., Austria, Ingemar Persson, Division, Group Leader, Anne Henry, Esteban Andrejs Petruhins, Alexandra Serban, Broitman, Guest Prof., Carnegie-Mellon, Laurent Souqui, Quanzheng Tao, Lina Michel Barsoum, Guest Prof., Drexel Tengdelius, Christopher Tholander, Andreas University, Joseph E. Greene, Guest Prof., Thore, Nina Tureson University of Illinois, Ivan Petrov, Guest Prof., University of Illinois, Lars Hultman, 75% • Administrative and Technical Staff: Anette leave of absence (CEO SSF), Ulf Karlsson, Frid, Division Coordinator, Kirstin Kahl, Head of Department AFM/EU Coordinator, Malin Wahlberg, Linné Coordinator, Therese Dannetun, • Associate Professors: Johanna Rosén, Deputy FunMat Vinnex Center Coordinator, Thomas Head, Group Leader, Hans Högberg, Deputy Lingefelt, 1st Research Engineer, Harri Head, Group Leader, Per Eklund, Group Savimäki, Research Engineer Leader, Per Persson, Group Leader, Grzegorz

126 External Research Funding Undergraduate Courses Offered • ERC Starting Grant (Rosén) • TFYA21 Physical Metallurgy (Alling/Eklund) • ERC Starting Grant (Eklund) • TFYA46 CDIO – Biology and Chemistry • VR Distinguished Young Researcher (Rosén) (Henry) • VR International Career Grant (Alling) • TFYA50 CDIO – Computational Physics (Chirita) • SSF Future Research Leaders 5 (Eklund) • TFYA53 Computational Physics (Chirita) • SSF Research Infrastructure Fellow (Persson) • TFFM 40 Analytical Methods in Mtrl Sci. • KAW-Scholar (Hultman) (Eriksson) • KAW Academy Fellow (Rosén) • TFYY47 Nanotechnology (Birch) • KAW Academy Fellow (Eklund) • NFYA04 Nano Scientific Project (Rosén) • EU FP7 LifeLongJoints (Högberg) • TFYA17 Advanced Project Appl. Phys. (Eklund) • Strategic Grant (SFO) in Materials Science, • TFEI71 Electrical Measurem. Systems AFM (Sandström) • SSF Synergy Grant, FunCase • TFMT13,16,22 Measurement Technol. • VR Linnaeus Grant, LiLi-NFM (Sandström) • Vinnova Excellence Center, FunMat • TFYA65 Physics of Sound (Sandström) • VR/RÅC Coordinated Frame Program (Birch) • TSTE05 (IFM part) Electr. & Meas. Tech. (Sandström) • 11 VR Project Grants (PIs: Birch, Henry, Barsoum, Hultman, Rosén, Eklund, Persson, Alling, Hsiao, Pozina, Greene) • EnergyAgency: Defects physics in GaN Graduate Courses Offered (Pozina) • Synchrotron Radiation (Magnuson) • 2 VR Sw. Research Links (Gueorguiev, • Ion Beam Analysis of Condensed Matter Pozina) (Jensen) • VR International Postdoc (Mocküte) • Fundamentals of Ceramics (Barsoum) • SSF Korea-Sweden (Henry) • Nucleation and Growth (Greene, Birch, and • Eurostars: T-to-Power (Eklund) Hultman) • 2 ÅF projects (Pozina, Zukauskaite) • Vacuum Science and Technology (Eklund) • 7 Carl Trygger grants (Henry, Högberg, • Electron Microscopy (Persson) Gueorgu-iev, Jensen, Magnuson, Pozina, • X-ray Diffraction (Birch and Eriksson) Schmidt) • Surface Anal. Techn. (Greczynski, Jensen, • STINT Cluster-assembled materials Sandström) (Gueorguiev) • Introductory course to SPM (Sandström) • Partner Petra III Swedish Beamline P21 (Birch) • Partner MAX-IV VERITAS Beamline (Magnuson) Special Events in 2015 • Per Eklund received Wallenberg Academy • KAW Project (Janzén, Abrikosov, Birch, Fellow Hultman, Greene) • Johanna Rosén received KAW Project The • KAW Project The Boride Frontier (Rosén, Boride Frontier (37 MSEK/5 years) Eklund, Persson)

127 • Per Persson received the SSF Research Novel hybrid light emitting diodes (LEDs) can Infrastructure Fellow grant (15 MSEK/ 5 years) have a much better internal efficiency compared • Johanna Rosén received the Tage Erlander to common LEDs. In collaboration with Nobel Award in Physics Prize Laureate in Physics 2014, Prof. H. Amano, • Björn Alling visiting scientist at Max Planck we have found the best rate of energy transfer of Institute for Iron Research through VR 43 % for the specially designed hybrid QW International Career Grant sample with a 3 nm-thick top barrier, while no • Agne Zukauskaite received a Junior Group visible effect was detected in control samples with Leader position at the Fraunhofer Institute, thicker spacer layers. Freiburg, Germany (started Feb. 2015) M. Forsberg, C. Hemmingsson, H. Amano, G. • Aurelija Mocküte received VR International Pozina, Scientific Reports 5, 7889 (2015) Postdoc • Alexandra Serban’s (et al) article on core-shell We have used TiB cathodes to enable a route for InAlN nanorod was selected for the front 2 attaining a stable, reproducible, and fully ionized cover of Nanotechnology plasma flux of Ti and B by removal of the external • Mathias Forsberg was granted award for the magnetic field, which leads to dissipation of the best oral presentation at the MIATEC-RSD 2015 vacuum arc discharge. I. Zhirkov, …, J. Rosen, Appl. Phys. Lett. 107, 184103 (2015) Scientific Highlights in 2015 The Division published ~80 peer-reviewed papers including in Nano Letters, ACS Nano, Phys Rev Letters, Phys Rev B, Adv. Materials, Chem. Mater., APL, APL Materials, Chem. Comm. Acta Mater, etc.

Chirality, tailored by external morphology and internal composition, has been realized by controlled curved-lattice epitaxial growth of

InxAl1-xN nanospirals. A lateral composition gradient leads to the curved morphology of the spiral segments which, imposing gradients in lattice parameter as well as optical properties. C.-L. Hsiao, R. Magnusson, J. Palisaitis, P. The chemical and structural properties of single Sandström, P.O.Å. Persson, S. Valyukh, L. Ti C T MXene sheets were investigated using 3 2 x Hultman, K. Järrendahl, and J. Birch, Nano the Linköping monochromated, double- Letters 15, 294 (2015) corrected transmission electron microscope. The sheets were found to exhibit a nonuniform A novel two step sputtering/annealing method for coverage of surface groups which affect the local thin film growth of textured Ca3Co4O9 was chemistry as well as mobile oxidized Ti adatoms. invented where a CaO-CoO thin film was L. Karlsson J. Birch, …, P. O. Å Persson Nano deposited by reac-tive rf-magnetron Letters 15, 4955 (2015) co-sputtering from Ca and Co targets.

128 Combined STEM and EDX mapping employing Linköping’s double-corrected Arwen microscope equipped with a Super-X detector system for ultra-high count rates reveals temperature- driven diffusion mechanisms in metal/ semiconductor stacks of epitaxial TiN/(Al,Sc)N. J. L. Schroeder, B. Saha, M. Garbrecht, N. Schell, T. Synchrotron-based 2D x-ray diffraction as well as D. Sands, J. Birch, J. Mater. Sci. 50, 3200 (2015). ex-situ annealing experiments reveal the underlying mechanism of thermally activated phase transformation from CaO-CoO phase to Technology Transfer and the final phase of Ca3Co4O9. Interaction B. Paul, …., J. Birch, P. Eklund, Advanced • Vinn Excellence Center FunMat Electronic Materials, 1, 1400022 (2015) • ABB Corporate Research /Impact Coatings (spin-off by our graduate H. Ljungcrantz) for types of substrates by CVD and observed that applications of contact materials the obtained sp2‑BN polytype (hexagonal and • SECO Tools, Sandvik Tooling, Ion Bond, SKF, rhombohe-dral) is dictated by the substrate CemeCon: research on wear-resistant films and crystal. PVD processes; industry PhD student L. Landälv M. Chubarov, H. Pedersen, H. Hogberg, Z. Czigány, M. Garbrecht, A. Henry, Chem. Mater. • Plansee, target development for arc and sputtering processes [Rosen/Zhirkov] 27, 1640 (2015) • Patent application together with CemeCon AG: Dense, hard HIPIMS coatings [Greczynski] Two-dimensional (2D) bismuthide compounds XBi (X=B, Al, Ga, and In) with a buckled • Studsvik Nuclear AB; novel oxide characterization method for nuclear plant honeycomb structure represent prospective reactor materials imple-mented with our topological insulators (TIs). We identified band Triboindenter TI-950 [Broitman] inversions for the relaxed hydrogenated GaBi and • N-works AB – spin-off company by Birch/ InBi and for the hydrogenated BBi and AlBi Hultman under strain thus • Eurostars T-to-Power: R&D and enlarging the new commercialization of thermoelectric devices class of 2D with Danish Technologi-cal Institute and bismuthide materials TEGnology A/S [Eklund] for electronic • MyFab National Access Grant [Hsiao] applications. • ESS AB collaboration on neutron detectors, R. R. Q. Freitas, R. [PhD student M. Imam] Rivelino, F. de Brito • Partner of Excillum AB for the VINNOVA Mota, and C. M. C. de project (“materialbaserad konkurrenskraft”) Castilho, A. “Boron Nitride as protective layer in X-ray Kakanakova- tube" [Henry] Georgieva, G.K. Gueorguiev, J. Phys. www.ifm.liu.se/thinfilm Chem. C 119, 23599 (2015). 129 Scientific Branch of Theory and Modeling General Information

The program “Theory and Modeling (T&M)” at the Kronbäck acts as administrative assistant. Department of Physics, Chemistry and Biology Members of T&M carry out innovative research. In (IFM) includes Theoretical Physics, Theoretical 2015, we published 93 papers in international Chemistry, Theoretical Biology, and journals with referee system. Our papers are well Bioinformatics. Though the disciplines at T&M cited. We gave a large number of invited talks at represent broad scientific fields they all rely on a international conferences. Members of T&M are common core of mathematical modeling, active in undergraduate and graduate teaching. mathematical/numerical methods, and IFM is a motivating place for conducting simulations. The computational problems usually theoretical programs, because it offers close contact deal with complex systems that require a wide with experimental activities and educational range of scientific knowledge: problem programs in engineering and science. Another formulation, mathematical modelling, numerical important aspect is the access to the computational analysis, programming for parallel execution, facilities and expertise at the National hardware solutions, tools for analysis and Supercomputer Centre (NSC). In particular, our visualization etc. groups and NSC are actively involved in Swedish The field of theory and modeling is becoming e-Science Research Centre (SeRC). We are actively increasingly important because it may supplement participating in the Interdisciplinary Materials expensive and/or time consuming experiments and Science Laboratory for Advanced Functional product developments with realistic simulations Materials (AFM). Both, SeRC and AFM are the based on mathematical models, rapid access to Strategic Research Areas supported by the Swedish large databases, etc. It may also replace hazardous, Government grants. We are involved in Linnaeus dangerous and/or very expensive experiments and Strong Research Environment supported by the even substitute inaccessible experiments as in Swedish Research Council, in Strategic Research geophysics and astrophysics. Centres “Multifilms”, “Center of Organic Moreover, the need for research and education Electronics (COE)”, and FUNCASE supported by in the broad field of theory and modeling is the Swedish Foundation for Strategic Research. In evidently great. The reason is the profound and addition, we are part of FORMAS Strong Research rapid development of computers, efficient Environment “Centre of Excellence for Farm algorithms, software, and immense databases that Animal Welfare Research”. In 2013 Knut and Alice we experience today. It offers new and rich Wallenbergs Foundation gave its support to the opportunities to solve in realistic ways many project “Strong Field Physics and New States of important problems. Matter” that is coordinated by us. There are about fifty persons actively engaged in T&M represents a broad and interdisciplinary T&M. To organize common activities within T&M research program. The annual Theory and there is a steering committee, which includes Igor Modeling Day, which this year was organized by Abrikosov (theoretical physics and head of theory Theoretical Chemistry, brings us together. Apart and modeling), Uno Wennergren (theoretical from exchanging of ideas and thoughts, we enjoyed biology), Björn Wallner (bioinformatics), and a seminar on special and general relativity by Patrick Norman (theoretical chemistry). Lejla Magnus Herberthson from MAI.

Members of Theory and Modeling division at http://www.ifm.liu.se/theomod/ “Theory and Modeling Day” December 7, 2015 131 Bioinformatics Staff MexR (cf Figure 1) in the bacterium Pseudomonas • Associate Professors: Björn Wallner, Mika aeruginosa change the protein dynamics, and Gustafsson leads to infections re-sistant to antibiotics. • PostDocs: Sankar Basu, Claudio Mirabello • PhD Students: Robert Pilstål • Technical staff: Lejla Kronbäck, administrative assistent, Malin Larsson, Bioinformatics expert, WABI • Vacant: BILS

During 2015 we have recruited Mika Gustafsson as a new group leader. Mika has been working with gene networks and modules to understand disease at the medical faculty before. We got support from Wallenberg Figure 1: Possible binding mode for the Advanced Bioinformatics Infrastruc-ture for transcription factor MexR (yellow) bound to one full-time position. In competition with 20 DNA. other applicants Malin Larsson was offered the position. Diagnosis before disease breaks out Many patients with serious diseases are not Research helped by their medications because treatment Prediction of protein domain interaction is started too late. Mika Gustafsson leads an international team launching a unique strategy We are developing methods that utilize the for discovering a disease progression in its massive amount of growing sequence data earliest phase. The new strategy, published in available to find subtle compensatory single Science Translational Medicine, is based on point mutations in pro-tein domain to predict analysing T cells, a type of white blood cell that interaction surfaces and exactly which residues constantly patrols around the body, combatting that interact (cf. Figure 1). This information microbes and healing damaged tissue. The will improve both docking and structure research team studied the genetic activity of T prediction. The result for single domain cells from ten inflammatory, malignant and proteins is fantastic, around 70% accuracy metabolic diseases. The study used technology given enough sequence homologs (>1000 seqs). that en-ables simultaneous analysis of each of This ac-curacy is enough to fold proteins the human body’s 20,000 genes. The results without any struc-tural homolog. showed that the genetic activity in all the diseases differed from healthy samples. Structural calculations and predictions Using bioinformatics we have combined We use molecular modeling techniques to study multiple ‘omics to develop a mathematical molecular interactions and sequence variations large-scale model for the genetic activation of T in relation to structural changes. In a joint cells, which was used to identify the genes that project with the Sunnerhagen group at IFM, we initiate the ac-tivity (cf Figure 2). The have used molecular dynamics to explain how a assumption was that these types of genes could single amino acid change in a protein called be used to make an early di-agnosis. To test this,

132 Teaching During 2015, we have arranged the introductory bioinformatics course TFTB45 and a new course in advanced bioinformatics, TFTB46. The advanced course was greatly appreciated by the students.

SeRC IFM Bioinformatics is very active in the Swedish e-Science Research Centre (SeRC), where Björn Wallner coordinates the bioinformatics community and represents Linköping University in the SeRC management group.

Bioinformatics Infrastructure There are currently two national bioinformatics infrastructure initiatives in Sweden, BILS funded by VR and WABI funded by the Wallenberg Foun-dation. We have funding for one person from BILS and one from WABI. Malin Larsson was the BILS expert until October 2015, when she was recruited to the Wallenberg Advanced Bioinformatics Infra- structure (WABI). Malin’s main expertise is genetic variation, but support is also given in Figure 2: Predicted gene interaction network, related areas. Last year support was given to from initial genes (MAF, MYB, and GATA3), to groups in biostatis-tics, analysis of gene early genes (second layer), and late genes (outer expression, genetic variation and massively layer). parallel DNA sequence data. The BILS position we studied T cells from early, symptom-free is currently vacant, but will hopefully be stages of multiple sclerosis and pol-len allergy. announced during the year. This confirmed that these genes can function as disease markers even when the patient no longer has any symptoms. Earlier diagnostics makes treatment more effective and in the long term it will increase the interest in regular health checks to discover and treat, or pre-vent, disease at an early stage.

133 Theoretical Biology Staff • Analysis and optimization of animal transport: logistics and animal welfare (Uno • Professors: Uno Wennergren (head of Wennergren PI) division), Bo Ebenman • Associate and assistant professors: Annie Members of the group are involved in several Jonsson, Anna Eklöf courses at graduate as well as undergraduate • Postdocs: Tom Lindström, Amrei Binzer levels. • PhD students: Peter Brommesson, Alva Curtsdotter, David Gilljam, Sara External collaborations Gudmundson, Stefan Sellman, Torbjörn • PACE Lab – Prof. Richard Law (York Säterberg, Jonatan Årevall, Anna Åkesson University, UK), Prof. Owen Petchey • Administrative assistant: Anna Sundin (University of Zürich, Switzerland), Dr. Guy Woodward (Queeen Mary University of London, UK), Prof. Ulrich Brose (Darmstadt Technical University, Germany) and Dr. General Tomas Jonsson (Skövde Univer¬sity, Sweden). There is two research labs in the division of • SPABIO Lab - Prof. Mikael Rönnquist Theoretical Biology: Population and (Bergen University), Dr. Annie Jonsson Community Ecology lab (PACE lab) headed by (Skövde University), Prof. Bo Algers (SLU), Professor Bo Ebenman and Spatiotemporal Prof Colleen Webb (Colorado State University). Dr Michael Tildesley (Warwick Biology lab (SPABIO lab) headed by Professor University) and Docent Susanna Sternberg Uno Wennergren. Present research projects Lwerin (SLU). include: • The response of ecosystems to species loss: using community viability analysis to quantify External funding the risk and extent of extinction cascades (Bo Financial support has been received from the Ebenman PI) Swedish Research Council (VR), Swedish • Using sensitivity analysis to identify keystone Research Council for Environment, Agricultural species and keystone links in ecosystems (Bo Sciences and Spatial Planning (FORMAS), Ebenman PI) VINNOVA, Swedish Agricultural Board, • The robustness of ecosystems to an Swedish Emergency Management Agency, and increasingly variable world: effect of climate Department of Homeland Security US. change on the structure and functioning of ecosystems (Bo Ebenman PI) • The response of metacommunities to habitat Highlights and species loss: the role of local and regional The SPABIO lab takes the final step to launch processes (Bo Ebenman PI) their logistic and routeplanning tool of animal • Ecologically effective population sizes (Bo transports. The project is done in collaboration Ebenman PI) with HKScan and Skogforsk. It is funded by • Population growth in heterogeneous Vinnova and the aim is to increase animal landscapes: crop management strategies for welfare and reduce costs and emission. effective biological control of pests (Uno Wennergren PI) Anna Eklöf form a new group by hiring a postdoc, Amrei Binzer, and a PhD student, • Reducing the risk of spread of diseases (Uno Anna Åkesson. The group focuses on the Wennergren PI) dynamics, robustness and functionality of large • Long term strategies for preserving species in empirical and theoretical food webs. The group a dynamic landscape (Uno Wennergren PI) is funded by grants from VR and LiU. http://cms.ifm.liu.se/theomod/theobio.html 134 Theoretical Chemistry Staff cluster-assembled compounds and low- • Professors: Patrick Norman (head of dimensional phases, device physics, division), Sven Stafström photochemistry and biochemistry) with many • Associate professors: Magnus Boman, applications in the fields of nanotechnology, Gueorgui Gueorguiev, Bo Durbeej, Mathieu optoelectronics, and organic electronics. Linares, Joanna Kauczor We give a number of courses on undergraduate • Postdocs: Jonas Björk, Chang-Feng Fang, and graduate levels: Classical Mechanics Jaime Rosal, Florent Di Meo, Jun Wang (undergraduate, JB, BD, MB), Quantum • PhD students: Cecilia Goyenola, Olle Falklöf, Mechanics (undergraduate, MB), Thomas Fransson, Paulo Medeiros, Baswanth Computational Quantum Chemistry (graduate, Oruganti, Riccardo Volpi, Morten Pedersen, ML, BD), Molecular Mechanics and Molecular Tobias Fahleson, Luiz Ribeiro, Rafael Freitas Dynamics (graduate, ML), Molecular Response • Adm. Assistant: Lejla Kronbäck Properties Summer School (graduate, PN).

General Highlights • A Palette of Fluorescent Thiophene-Based In our work to describe molecular structure and Ligands for the Identification of Protein dynamics and electronic structure and motions Aggregates in Chem. Eur. J. 2015, 21, 15133 in molecular materials, we employ a wide • Beyond the electric-dipole approximation: A variety of methods including molecular formulation and implementation of mechanics and molecular dynamics for studies molecular response theory for the description of structures and morphology, first principles of absorption of electromagnetic field electronic structure theory, response theory for radiation in J. Chem. Phys. 2015, 142, 244111 excited states and spectroscopic applications, • Bottom-up hierarchical self-assembly of the nudged elastic band (NEB) method for chiral porphyrins through coordination and hydrogen bonds in J. Am. Chem. Soc., 2015, determining minimum energy paths and 137, 15795 transition states, QM/MM methods for complex systems and environments, finite size • Spin-orbit-induced gap modification in buckled honeycomb XBi and XBi3 (X = B, Al scaling for studies of electron localization, the Ga, and In) sheets in J. Phys.: Condens. Landauer formalism, electron lattice dynamics Matter 2015, 27, 485306 and Monte Carlo methods for studies of charge • Visualization and thermodynamic encoding transport. Most of the systems that we are of single-molecule partition function studying are carbon based but also silicon based projections in Nature Commun. 2015, 6, 6210 systems, bismuthides, and III-nitrides are • Unfolding spinor wave functions and modeled. Through our engagement in the expectation values of general operators: broad Scandinavian collaboration centered Introducing the unfolding-density operator in about the Dalton software package (http:// Phys. Rev. B 2015, 91, 041116(R) www.daltonprogram.org/) we take an active • On the Origin and Variation of Colors in part in the development of new quantum Lobster Carapace in Phys. Chem. Chem. Phys. 2015, 17, 16723. See also: chemical methods. Our research cuts across a http://www.rsc.org/chemistryworld/2015/03/ range of disciplines (molecular and lobster-colour-change-mechanism supramolecular electronics, photonics, materials and polymer science, surface science,

135 Collaborations within LiU Foundation, Wenner-Gren Foundations, and • Center of Organic Electronics (COE) Olle Engkvist Foundation. In particular, Patrick Norman is coordinator for KAW project “Strong • Thin-Film Physics, IFM Field Physics and New States of Matter”, Bo • Semiconductor Materials, IFM Durbeej has a VR grant for young researchers, • Surface Physics and Chemistry, IFM Mathieu Linares is a faculty member of the • Mol. Surf. Phys. and Nano Science, IFM Swedish e-Science Research Centre (SeRC), • Biomolecular and Organic Electronics, IFM and Gueorgui Gueorguiev has a Swedish Foundation for International Cooperation in • Organic Electronics, ITN Research and Higher Education (STINT) project for bilateral collaboration with the Federal University of Bahia in Brazil. Our work External activities and networks has been enabled by the provision of high- • Director General, VR (SS) performance computing resources by Swedish • Director, NSC (PN) National Infrastructure for Computing (SNIC) • Faculty member, SeRC (ML) and National Supercomputer Centre, NSC, at • Co-authors, DALTON program (JK and PN) Linköping University.

Individual external collaborations • T. Saue (Toulouse, France) • K. Ruud (Tromsø, Norway) • N. Avarvari (Angers, France) • D. Beljonne (Mons, Belgium) • R. Rivelino, F. Brito, C.M.C. de Castilho (Federal University of Bahia, Salvador, Brazil) • Fernando Nogueira (Coimbra, Portugal) • Zsolt Czigány (Budapest, Hungary) • Micael Oliveira, (Liege, Belgium) • J. Helliwell (Manchester, UK) • J. Barth (München, Germany) • M. Stöhr (Groningen, The Netherlands) • L. Chi (Suzhou, China)

External funding External funding is essential for the group activities. We are grateful for support from a number of sources including the Swedish Research Council (VR), Knut and Alice Wallenberg Foundation (KAW), Carl Trygger

136 Theoretical Physics Staff • Theoretical study of materials with fast ionic conductivity for energy applications (S. • Professors: Igor Abrikosov (Head T&M), Simak, J. Klarbring, O. Hellman) Karl-Fredrik Berggren, Magnus Johansson, Bo Sernelius, Sergei Simak, Irina Yakimenko • Physics of strongly correlated materials (M. Ekholm, L. Pourovskii, Q. Feng, E. Mozafari, • Associate Professors: Peter Münger, Ferenc J. Jönsson, I. Abrikosov) Tasnádi • Theoretical spectroscopy (, J. Jönsson, W. • Assistant Professors: Rickard Armiento, Olovsson, M. Ekholm, I. Abrikosov) Weine Olovsson, Leonid Pourovskii, Marcus Ekholm • Methodological development for computational density functional theory (R. • Postdoctoral fellows: Maxim Belov, Qingguo Armiento, K. Finzel, A. Lindmaa, V. Ivady, I. Feng, Olle Hellman, Nuala Mai Caffrey , Abrikosov) Davide Sangiovanni, Peter Steneteg, Olga Vekilova, Zamaan Raza, Kati Finzel • Materials modeling and high throughput materials design (R. Armiento, A. Lindmaa, J. • PhD students: Viktor Ivady, Peter Jason, Davidsson, I. Abrikosov) Hans Lind, Alexander Lindmaa, Igor Mosyagin, Elham Mozafari, Fei Wang, Alexey • Nanophysics, ultrasmall semiconductor Tal, Johan Jönsson, Johan Klarbring, Johan structures and devices in the quantum Tidholm, Natalia Skripnyak regime, quantum information, transport, quantum and classical waves in cavities and • Administrative assistant: Lejla Kronbäck constrictions with oscillating boundaries (I. I. • Masters students: Joel Davidsson, Henrik Yakimenko, K.-F. Berggren) Karlsson • Dynamics of nonlinear lattice models: • Bachelor students: Joakim Andersson Fundamental concepts and applications for • Project student: Erik Johansson, Johan optics, cold atoms and condensed matter (M. Klarbring Johansson, P. Jason) • Visiting researchers: Prof. Lennart Stenflo • Studies of dispersion forces in nanoscience, of the fundamental nature of the Casimir force and its temperature dependence (B. E. Sernelius) Appointments in 2015 • Gravitation as a Casimir interaction (B. E. Ferenc Tasnádi as Associate Professor Sernelius) • Casimir effects in graphene systems (B. E. General information Sernelius) • Luminescence in ZnO nanorods, nanotubes The research in theoretical physics is focused on and nanoparticles (B. E. Sernelius) condensed matter physics/theoretical materials science, nanoscience, electromagnetic modeling, • Core level spectra from two-dimensional systems (B. E. Sernelius) and non-linear physics. Typical projects are: • Electronic structure theory and • Simulation of dynamic conductivity and first-principles simulations of materials scattering rate of photoexcited charge carriers properties (I. Abrikosov, S. Simak, F.Tasnadi, in semiconductors (B. E. Sernelius) M. Ekholm, R. Armiento, N. Mai Caffrey, V. • Magnetoresistance of heavily doped Ivady). semiconductors (B. E. Sernelius) • Phase stabilities, phase transformations, and • Molecular dynamics simulations (P. Münger, elastic properties of materials (O. Hellman, F. O. Hellman, A. Tal, E. Mozafari, J. Klarbring, Tasnádi, H. Lind, M. Ekholm, I. Mosygin, F. S. Simak, I. Abrikosov). Wang, S. Simak, D. Sangiovanni, Z. Raza, N. Skripnyak, J. Tidholm, I. Abrikosov)

137 We participate in leading national research Marcus Ekholm was awarded the prize programs. In particular, we are actively involved Minimoroten by the students of TBi-sektionen. in two Strategic Research Areas, Swedish Peter Münger and Magnus Johansson take e-Science Research Centre (SeRC) and in the part in the EU Academic Network: Horizons of Interdisciplinary Materials Science Laboratory Physics Education (HOPE). It is a collaboration for Advanced Functional Materials (AFM), both between more than 70 European University supported by the Swedish Government. We are Physics Departments with the aim to part of the Strategic Research Centers investigate and improve various aspects of “Multifilms” and “FUNCASE”, both supported physics education. by the Swedish Foundation for Strategic Sergei Simak participated in CHINA– Research. We, together with Theoretical SWEDEN Excellence Seminar in Shanghai Chemistry Group, build the node "Materials (China), organized by China Association of Modeling" within the Linköping Linnaeus Higher Education (CAHE) and Swedish Initiative for Novel Functional Materials, Academic Collaboration Forum (SACF). The supported by the Swedish Research Council. joint excellence seminar offered unsurpassed Moreover, we are involved in projects “Isotopic opportunities to meet with other highly ranked Control for Ultimate Material Properties”, academic institutions and scholars to discuss “Nanoparticles by Pulsed Plasma” and “Strong relevant issues and possibilities for future Field Physics and New States of Matter” cooperation and joint research projects in supported by Knut and Alice Wallenberg parallel sessions and individual meetings. Foundation. At the European level, we are actively involved in European Network Psi-k, PhD examinations where Prof. Abrikosov is a Board of Trustees Hans Lind: Theoretical understanding of Member and a Spokesperson for Working stability of alloys for hard-coating applications Group “Real Materials: Metallic Alloys”. and design, Dissertation No 1647, ISBN: 0345- The theory group gives a large number of 7524 (April 2015). courses on graduate as well as undergraduate levels. The teaching has a wide range of courses, including classical mechanics, computational Highlights 2015 physics in physics education, electromagnetism, The most incompressible metal osmium at static analytical mechanics, quantum theory, pressures above 750 gigapascals [L. Dubrovinsky, relativistic quantum mechanics, condensed N. Dubrovinskaia, E. Bykova, M. Bykov, V. matter physics, many-body physics, statistical Prakapenka, C. Prescher, K. Glazyrin, H.-P. mechanics, quantum information and Liermann, M. Hanfland, M. Ekholm, Q. Feng, computing, elementary particle physics, L. V. Pourovskii, M. I. Katsnelson, J. M. Wills & cosmology, chaos and nonlinear phenomena. I. A. Abrikosov, Nature, 525, 226 (2015)] Magnus Johansson is Director of Studies for Metallic osmium (Os) is one of the most the undergraduate education in Physics, exceptional elemental materials, having, at Marcus Ekholm is appointed contact person for ambient pressure, the highest known density the Bachelor and Master programmes in and one of the highest cohesive energies and Physics and Nanoscience, and Irina Yakimenko melting temperatures. In our highlighted is responsible for the Master profile "Theory, publication, a joint experimental and modelling and visualization" on the programme theoretical effort was made to study this for Applied Physics and Electrical Engineering.

138 material at static pressure up to 770 GPa, twice electrons form well-defined bands near the as high as pressure in the Earth’s core, and Fermi energy at all the pressures examined. 5p almost twice as high as static pressure that one electrons occupy 5p1/2 and 5p3/2 states, which are was able to reach earlier. In the experiment, an split due to spin–orbit interaction; 4f electrons unexpected behavior of lattice parameters was occupy 4f5/2 and 4f7/2 states. They behave as core detected. Although molar volume of Os electrons forming fully localized states at 0 GPa. monotonically decreased with pressure, the unit However, at 392 GPa, the 5p states are cell parameter ratio c/a exhibited two anomalies broadened. Importantly, one clearly sees in (b) at 150 GPa and 440 GPa. Our calculations that 5p3/2 and 4f7/2 states start to interact with based on dynamical mean-field theory each other, and the CLC transition takes place. demonstrated that the former anomaly was a This interaction may be responsible for the signature of a topological change of the Fermi peculiarity observed in our experiments at surface, an isostractural transition due to ultra-high pressure. outmost (valence) electrons of Os. Most interestingly, we have discovered a new type of Core-level spectra from graphene [Bo E. Sernelius, electronic transition, the core level crossing Phys. Rev. B 91, 045402 (2015)] (CLC), which may be responsible for the latter XPS core-level spectra for pristine and anomaly. Our calculations showed that at this doped free-standing graphene sheets were ultra-high compression, energy levels of the Os calculated. The calculations based on the 4f and 5p inner (core) electrons start to overlap so-called sudden approximation compared well (see figure). This type of core level crossing, with experimental spectra produced locally and with an associated reconstruction of the core in Taiwan. orbitals, may in turn influence the valence The core-level spectroscopy is an important electrons responsible for bonding. The ability to tool for the characterization of the system. The affect the core electrons under static high- energy shift and shape of the core-level peak pressure experimental conditions, even for can give information about the graphene sheet, incompressible metals the substrate, and the buffer layer. such as Os, opens up Pristine graphene is neither an ordinary metal new and exciting nor an ordinary semiconductor. It can be opportunities to considered a two-dimensional (2D) zero-gap search for new states semiconductor or a 2D metal with a Fermi- of matter under surface consisting of two points in the Brillouin extreme compression. zone. In the excitation process the core-hole potential is turned on very abruptly. This shakes Figure: Calculated up the electronic system and both single- electronic density of particle excitations (electron-hole pairs) and states (DOS) of Os as a collective excitations (2D plasmons) appear. In function of energy E an ordinary metal this would result in a series (relative to the Fermi of plasmon replicas and a low-energy tailing of energy EF). a, b, DOS the main peak and of the replica peaks. In the at pressures of 0 GPa system considered here small energy transfers (a) and 392 GPa (b). dominate in both the plasmon excitations and 6s, 6p, 5d, and 5f

139 the electron-hole pair excitations. This results In this work the main structural candidates, i.e. in a single peak with a low energy tailing. the body-centered cubic (bcc), face-centered cubic (fcc), and hexagonal close-packed (hcp) phases of Fe alloyed with 25 at.% of Ni at Earth's core conditions have been studied using an ab initio local density approximation + dynamical mean-field theory taking care of strong electron correlations. The calculations demonstrate that the strength of electronic correlations on the Fe 3d shell is highly sensitive to the crystal structure and local environment. In the bcc phase, the 3d electrons at the Fe site with Fe only nearest neighbors remain rather strongly correlated, even at extreme pressure-temperature conditions, with Figure: C 1s core-level spectra of free-standing the local and uniform magnetic susceptibility graphene. The red circles are the local exhibiting a Curie-Weiss-like temperature experimental spectrum from quasi-free- evolution and the quasiparticle lifetime standing epitaxial graphene on SiC obtained by featuring a non-Fermi-liquid temperature hydrogen intercalation. The thick solid line is dependence (see Figure). In contrast, for the the peak with adiabatic assumption; the dashed corresponding Fe site in the hcp phase, a weakly curve is the peak in absence of interaction with correlated Fermi-liquid state is predicted. The the carriers. The thin solid curve is the result iron sites with nickel atoms in the local from the sudden approximation where shake up environment exhibit behavior in the range effects from electron-hole pair and plasmon between those two extreme cases, with the excitations are taken into account. The energy is strength of correlations gradually increasing relative to the position the peak would have if along the hcp-fcc-bcc sequence. Further, the all electron states were frozen. Core-level intersite magnetic interactions in the bcc and binding-energy in-creases towards the left in the hcp phases are also strongly affected by the figure. (The second experimental peak is from presence of Ni nearest neighbors. The the C 1s core level in the SiC substrate.) sensitivity to the local environment is related to modifications of the Fe partial density of states Electronic correlations in Fe at Earth's inner core due to mixing with Ni 3d states. conditions: Effects of alloying with Ni [ O. Yu. Vekilova, L. V. Pourovskii, I. A. Abrikosov, and S. I. Simak, Phys. Rev. B 91, 245116 (2015)] Iron is the main component of Earth’s inner core. From geochemical and seismic data, it is expected to be alloyed with nickel and the corresponding pressure and temperature are ~330–364 GPa and ~6000 K, respectively. There is still no consensus on the crystal structure of Fe at Earth’s core conditions and the importance of strong electron correlations.

140 2015 Collaborations Collaborations within LiU • International Interdisciplinary Materials Science Laboratory for Advanced Functional Materials, a Strategic Research Area supported by the Swedish Government Grant • Swedish e-Science Research Centre, a Strategic Research Area supported by the Swedish Government Grant • Linköping Linnaeus Initiative for Novel Functional Materials • SSF Strategic Research Centre “Multifilms” • SSF Frame program “FUNCASE Functional Carbides and Advanced Surface Engineering” • KAW Research Centre “Isotopic Control for Ultimate Material Properties” • KAW Research Centre “Nanoparticles by Pulsed Plasma” • KAW Research Centre “Strong Field Physics and New States of Matter” • National Supercomputer Center (NSC) Figure. (a) The inverse uniform magnetic • Visualization Centre at Norrköping susceptibility in the paramagnetic state as a function of temperature for the hcp phase, with • CeNano project to investigate interface coherency in multilayers for hard coatings the dashed and solid lines corresponding to the Fe (six Ni and six Fe nearest neighbors) and the • Peter Münger, collaboration with the group of 1 Prof. Bo Ebenman, Theoretical Biology, IFM Fe2 (all nearest neighbors are Fe) types, respectively. (b) The same data for the bcc and External activities and networks fcc phases. Dashed red line corresponds to the Fe1 • Participation in Psik-Network type of iron atoms, whose nearest neighbors are • Peter Münger and Magnus Johansson four Fe and four Ni atoms in the bcc structure. participate in the "Horizons of Physics Education" (HOPE) EU Academic Network The solid red line shows the Fe2 type of atoms, which are surrounded exclusively by Fe atoms. within the ERASMUS programme The dashed-dotted black line shows the Fe atoms • Ferenc Tasnádi is workpackage leader in the of the fcc phase. Multi-scale Computational-driven design of novel hard nanostructured Coatings (MC2) network founded by M-ERA.NET • Ferenc Tasnádi has organized/chaired the “Computational Design and Experimental Development of Functional Thin Films” session at ICMCTF conference in San Diego, USA • Magnus Johansson is Principal Investigator for the Swedish Research Links project "Control of light and matter waves

141 propagation and localization in photonic • Leonid Pourovskii and Marcus Ekholm with lattices" with groups from Belgrade, Serbia Prof. Antoine Georges, École Polytechnique, and Santiago, Chile, supported by the Paris, France Swedish Research Council. A workshop was • K.-F. Berggren and I. Yakimenko with Prof. organized in Belgrade Sir M. Pepper (Cavendish Laboratory, • Karl-Fredrik Berggren, Advisory and Cambridge, UK and London Centre for Opportunities Committees, Programme Nanotechnology, UCL, with Prof. J. Bird meeting – Nano-Based Physics and (University of Buffalo, USA) and Prof. M. Technology, presentation: ”1D transport”, 8-9 Cahay (Cincinnati University, USA) September 2015, Trinity Hall, Cambridge, • Weine Olovsson with Prof. Claudia Draxl at UK Humboldt Universität zu Berlin, Prof. Isao Individual external collaborations Tanaka at Kyoto University, Dr. Teruyasu Mizoguchi at the University of Tokyo and Dr. • Igor Abrikosov and Prof. Michel Barsoum Venkata Rama Rao Medicherla, Siksha 'O' (Drexel University, USA), Prof. L. Anusandhan University, Bhubaneswar, India Dubrovinsky (Universität Bayreuth, Germany), Prof. M. I. Katsnelson (University • Rickard Armiento and Ann E. Mattsson of Nijmegen, The Netherlands), Prof. Yu. Kh (Sandia National Laboratories, USA), Vekilov (Moscow Institute of Steel and Alloys, Gerbrand Ceder (Massachusetts Institute of Russia), Prof. J. Neugebauer (Max-Planck- Technology, USA), Stephan Kümmel Institut für Eisenfor-schung, Germany) (University of Bayreuth, Germany), Predag Lazić (Rudjer Boskovic Institute, Croatia), • Igor Abrikosov, Viktor Ivady, Rickard Marco Fornari (Central Michigan University, Armiento and Dr. Adam Gali (Hungarian USA), Boris Kozinsky (Robert Bosch LLC, Academy of Sciences) USA), Anatole von Lilienfeld (Argonne • Bo Sernelius with Prof. G. D. Mahan (Penn National Laboratories, USA and University of State University, USA), Prof. Antonio Ferreira Basel, Switzerland) da Silva (Salvador de Bahia, Brazil), Prof. • Olle Hellman and Prof. D. Broido, Boston Barry Ninham (Australian National College, USA University, Australia), Prof. Chris Binns (University of Leicester, England), Dr. Mike • Ferenc Tasnádi is in collaboration with David Ward, University of Birmingham, Holec Montanuniversität Leoben Austria; Birmingham, UK, Dr. Astrid Lambrecht, Prof. Gregory Abadias, Institute P’, France; École Normale Supérieure, Paris, France, Prof. Philippe Djemia Université Paris 13, Prof. Clas Persson and Dr. Mathias Boström France (University of Oslo, Norway), and Prof. Iver Brevik (Norwegian University of Science and Technology, Norway). Fanqi Meng, Mark D. Thomson, and Hartmut G. Roskos External visits (Physikalisches Institut, J. W. Goethe- • Magnus Johansson visited Vinca Institute of Universität, Germany). Michael Jörger Nuclear Sciences, Belgrade (Bruker Optik GmbH, Germany) • Maxim Belov spent one months at the École • Magnus Johansson with Dr. R.A. Vicencio Polytechnique in Paris, France (Universidad de Chile, Santiago), Prof. M. • Olle Hellman is working part time at Stepic, Prof. A. Maluckov, Dr. P.P. Belicev, Dr CALTECH, USA, as VR Postdoc Grant holder G. Gligoric, and Dr. A. Radosavljevic (Vinca Institute, Belgrade, Serbia), and Dr. U. • Viktor Ivady had a long-term visit to Naether (Universidad de Zaragoza, Spain) Hungarian Academy of Sciences • Sergei Simak and Prof. O.M. Krasilnikov, • Igor Abrikosov visited NUST “MISIS”, Prof. Yu.Kh. Vekilov at NUST "MISIS", Moscow and Tomsk State University, Russia Russia, Prof. N.V. Skorodumova at KTH

142 • Leonid Pourovskii has shared employment • Ferenc Tasnádi gave a presentation of the between IFM and École Polytechnique, Paris, Nobel Price in Physics 2015 on IFM seminar France organized by graduate school, Agora and • Igor Abrikosov visited NUST "MISIS", Russia. another presentation organized by Sveriges Ingenjörer International conferences • Igor Abrikosov gave invited talks at Conference on Magnetism and Its Applications (MIA2015), Shanghai, China; Electronic Structure Approaches and Applications to Quantum Matter, Santa Fe, USA; 15th European Conference on Solid State Chemistry (ECSSC15), Vienna, Austria; Workshop on spin-lattice computations, Lidingö, Sweden; MAX IV Annual User Meeting, Lund, Sweden; International Symposium and Workshop “Electronic Structure Theory for Accelerated Design of Structural Materials”, Moscow, Russia • Sergei Simak gave an invited talk at International Conference “Electronic Structure Theory for the Accelerated Design of Structural Materials”, 26-30 October 2015, Moscow, Russia • I.I. Yakimenko and K.-B. Berggren. ”Correlation and random donors effects on electron transport in wide semiconductor quantum point contacts", Spin Tech VIII 8th International School&Conference on Spintronics and Quantum Information Technology, August 10-13, Basel, Switzerland • Weine Olovsson gave an invited talk at WAM 2015 25-27 June in Aveiro, Portugal

Popularization of science • Start page of our group web-site http://www.ifm.liu.se/theomod/theophys/ is used to present highlights of our recent research for the general public • Our discovery of the core level crossing transition in Os has attracted great interest and has been highlighted in media, in Sweden, Germany, USA, Russia, and in other countreis • In 2015 Prof. Abrikosov gave multiple interviews to international media

143 Scientific Branch of Research Centres AFM AFM - The Swedish Government Strategic Our mission is to: Research Area (SFO-MatLiU) in Materials 1. Build a Coordinated Excellent Research Science; Environment that integrates theory, International Interdisciplinary Materials Science simulations, and experiments Laboratory for Advanced Functional Materials: 2. Target and recruit internationally leading researchers in complementary fields • Chairman of the Board: Per Dannetun (Research Director, LiU) 3. Promoting tenure-track positions and career paths for young (star) researchers • Director: Prof. Magnus Berggren (ITN, LiU) 4. Investigate and open new and creative • Deputy Director: Prof. Igor Abrikosov (IFM, research fronts with commensurate LiU) industrial opportunities AFM encompasses researchers from the 5. Create novel high-performance soft, hard, departments IFM, ITN and IEI, and a partner and hybrid smart materials ACREO, organized into interactive 6. Explore new concepts in synthesis, collaborating teams. processing, analysis, and computer-based AFM is from 2015 managed by a board that modeling is responsible to the Vice Chancellor and the 7. Provide for state-of-the-art laboratory LiU Board. Decisions from the Board are settings. Invest in equipment with relevance executed by the Steering Committee through for Sweden’s infrastructure in synchrotron the Research Manager and the Administrator. work, microelectronics processing, neutron facilities, supercomputing, and electron microscopy The AFM Board: 8. Link research to LiU’s large undergraduate, • Per Dannetun (Chairman) international master, and graduate • Anders Flodström programs and doctoral programs • Hans Hentzell 9. Expand core R&D capabilities by enlarging and protecting the IPR base of Swedish • Mille Millnert companies in key industrial sectors and • Risto Nieminen foster new grass root spin-off companies • Elisabeth Nilsson 10. Facilitate the introduction of novel smart • Ingrid Reineck materials, with specifically designed • Magnus Wikström properties, into production by Swedish industry AFM is in operation since 2010. It contributes From AFM’s mission and focusing on renewal at the highest level to the creation of knowledge. AFM has distributed: Materials science is a top research priority at • totally 18 support to Principal Investigators LiU and strongly supported by industry and • totally 10 project supports to promising institutes. It is extremely productive as judged Researchers by both academic and societal metrics. • support for 2 Strategic Recruitments We envision that science is focused on the atomic/molecular-scale design of new materials will provide solutions to broadly-based societal issues, including jobs, health, energy, environment, and sustainability.

145 Agora Materiae – the Materials allowed MatLiU to undertake high-risk research. It has also strengthened its Science Graduate School commercial and industrial impact with several Agora Materiae is our graduate school with a new spinoff companies, new patents, more joint multidisciplinary direction within Material positions with industry, and the majority of its Physics. It involves about 20 research groups/ PhD graduates working in industry on areas at IFM, IEI, ITN, with an interest in hard graduation.” and soft materials. Agora Materiae is managed by: • Per Olof Holtz (Head) We have continued to publish high impact • Anette Frid (Administrator) journals, e.g.: Agora Materiae Student Council: • Nature Letters on “The most incompressible • Konstantinos Bakoglidis metal osmium at static pressures above 750 gigapascals” • Jesper Edberg • Nature Communications on “Photo-generated • Hossein Fashandi carriers lose energy during extraction from • Lida Khajavizadeh polymer-fullerene solar cells” • Igor Moyagin • Nano Letters on “Curved-Lattice Epitaxial • Jalil Shah Growth of InxAl1–xN Nanospirals with Tailored Chirality” • ScienceAdvances on “Electronic plants” AFM Highlights 2015 • Chemistry of Materials on “Polytype Pure sp2- In late 2014 and early 2015 AFM and the other BN Thin Films as Dictated by the Substrate Strategic Research Areas were evaluated by the Crystal Structure” and “Brominated Chemistry for Chemical Vapor Deposition of Government. Electronic Grade SiC” AFM a.k.a. MatLiU received the following • Physical Review Letters on “Temperature credentials: Dependence of Charge Carrier Generation in Performance: Excellent Strategy: Excellent Organic Photovoltaics” Added value: Excellent • Advanced Materials, 3 times on e.g. “A New From the evaluation: Fullerene-Free Bulk-Heterojunction System MatLiU focuses on Advanced Functional for Efficient High-Voltage and High-Fill Factor Solution-Processed Organic Materials and is world-leading in some areas, Photovoltaics” notably soft materials. It has a high-impact • Johanna Rosén was awarded support from publication record, with three papers in Nature the Knut and Alice Wallenberg Foundation Materials this year alone. Since 2010 MatLiU for The Boride Frontier (37 MSEK). has attracted significant prestigious prizes and • Magnus Berggren was awarded support from grants including 3 ERC Starting Grants, 2 ERC the Swedish Foundation for Strategic Advanced Grants, 2 Wallenberg Scholars, 3 Research for 0D+1D+2D=3D (35 MSEK). KAW Projects, and 3 SSF Future Research • For the second year in a row, Fengling Zhang Leaders. SRA funding has been primarily used and Olle Inganäs have been named Highly for recruitment and support of high-profile cited researchers and Highly Influential senior and junior faculty and support for Scientific Minds, in a ranking performed by Thomson Reuters. The ranking indicated nationally relevant infrastructure which is 3000 top scientists in 21 different fields. Of 27 available for industry use. The funding has

146 CeNano

Highly cited researchers with affiliation in The Centre in Nano Science and Technology (CeNano) is Sweden, only Zhang and Inganäs are active in an organisation within Linköping Institute of Materials Science. Technology (LiTH) at Linköping University. The mission of CeNano is to strengthen and We co-hosted: support the competence within nano science • The informal visit from the Board of the Knut and nano technology of the faculty. This is done and Alice Wallenberg Foundation by gathering researchers with nano activities in • The lecture by the Nobel Laurate Hiroshi the centre and by acting for increased Amano collaborations and joint projects in the nano • The LiU 40 year’s anniversary symposia by realm. CeNano also acts for development and Profs. Karl-Eric Magnusson, Stefan Thor, and coordination of the graduate and under Jari Kinaret graduate education in this scientific area. • The 4th Scientific meeting of the COST Included in the mission of CeNano is also Action TD1105 EuNetAir exposure of the faculty’s nano activities by seminars, actions for contact establishment, http://www.liu.se/forskning/afm?l=en taking initiative to larger projects, etc. In April, CeNano seminars on advanced photoemission and electron spectroscopy were delivered by Prof Olivier Renault, Commission for Atomic and Alternative Energies (CEA), Grenoble, and Prof Hans Siegbahn, Dept of Physics and Astronomy, Uppsala University. In November, the 11th CeNano Symposium was arranged, where 7 projects were presented by PhD students benefiting from CeNano support. Invited speaker was Dr. Ramunas Valiokas, Dept of Nanoengineering, Center for Physical Sciences and Technology, Vilnius.

The board of CeNano 2015: • Kajsa Uvdal, Chair • Daniel Aili • Jens Birch • Per Hammarström • Per-Olof Holtz • Sergei Simak • Karin Enander, Director

Projects granted support by CeNano 2015: • Björn Alling and Henrik Pedersen: “The missing link between theory and experiment for the understanding of the nanostructure of amorphous boron carbide – the final steps”

147 • Caroline Brommesson: “Biocompatibility coordination numbers and boron-carbon studies of engineered nanoparticles aimed for configuration preferences. These will then be use in biomedical applications” compared with the structural information of • Kenneth Järrendahl: “Synthesis and our films using pair distribution function characterization of chiral organic analysis of synchrotron X-ray total scattering, nanostructures” nuclear magnetic resonance, and neutron • Omer Nour: “Developing self-powered scattering techniques. wireless piezoelectric systems based on ZnO nanowires” • Galia Pozina and Ching-Lien Hsiao: ”Organic/inorganic hybrid structures fabricated utilizing III-N nanorods” • Zhangjun Hu: “Versatile water-dispersible ultrabright semiconducting polymer dots (Pdots) as platform for biomedical ratiometric fluorescent sensing” • Igor Zozoulenko and Xavier Crispin: Polarizing properties and structural “Simulation and modeling of nanoscaled characteristics in the cuticle of the scarab porous membranes and electrodes” beetle Chrysina gloriosa Lía Fernández del Río, Hans Arwin, Kenneth Järrendahl The scarab beetle Chrysina gloriosa has an eye Highlights catching metallic coloration originating from The missing link between theory and the reflection of light on the exocuticle. The experiment for the understanding of the reflected light is elliptically polarized and in nanostructure of amorphous boron carbide - some cases even circularly polarized. In this the final steps project the chiral exocuticle structure and its Annop Ektarawong, Mewlude Imam, Henrik Pedersen, optical properties will be studied with SEM, Björn Alling TEM, AFM and Mueller-matrix ellipsometry Boron carbide thin films are the material of and also optically modelled. Other scarab choice for a new generation of neutron beetles with similar optical features will also be detectors at the European Spallation Source studied. The objective is to serve as inspiration (ESS) in Lund. When grown with physical and in the production of bio-inspired materials vapour deposition techniques amorphous B4C which would have metallic appearance, tunable is obtained. The atomic and nanoscale structure optical properties and organic composition. of these coatings determine their mechanical, electrical, and chemical properties, but are currently unknown. In this project these amorphous materials are investigated with combined theoretical and experimental methods. On the theoretical side we will use quantum molecular dynamics meltquench and structure prediction methods to obtain candidate amorphous structure models including radial distribution functions, average

148 FunMat VINNOVA Excellence Center in Research corrosion and wear, cheap, and envi- and Innovation on Functional Nanoscale ronmentally friendly – truly multifunctional Materials ma-terials.

FunMat is in equal parts financed by VINNOVA, industry and LiU. The Centre is located at IFM and runs between 2007 and 2016 with the mission to: • Provide the strongest research platform for a consortium of companies in the area of Photo: Impact Coatings AB ad-vanced surface engineering, with a focus on nanotechnology for tools, components, con-tacts, and sensors • Self-Organizing Nanoscale Coatings for Cutting Tools and Components • Offer knowledge-based design of functional FunMat generates strategic knowledge for the materials on the nanoscale to provide unique deposition and structure evolution of new and improved surface properties with com- hard coatings used in wear protection of mensurate industrial opportunities metal machin-ing tools. The next generation • Expand core R&D capabilities by enlarging of tools must with-stand yet higher and protecting the IPR base of Sweden- mechanical and thermal loads than those of operating companies in key industrial sectors. today. We explore nanostructured ceramic coatings and push the frontiers of char- acterization techniques as well as The Centre was evaluated by VINNOVA and computational methods. external reviewers in November 2014 with the grade excellent. Based on this the centre could continue into stage 4, 2015-2016.

Research Program FunMat is a leading environment for problem- oriented research on nanoscale functional ma-terials. It offers scientific competence and inno-vative solutions in advanced surface engineer-ing. We develop thin film processing, advanced materials analysis, sensors and IPR. Photo: Sandvik Coromant AB

Project Themes • HiPIMS Key Technology Platform for Cutting Tools and • Multifunctional Nanocomposites for Combined Low-friction Components Electric and Mechanical Contacts We drive innovations in hybrid HiPIMS/ We develop novel coating materials for DCMS processing for advanced surface electrical contact applications. The engineering, in-cluding coating/substrate nanocomposite Max-Phase coating materials adhesion optimization. Target applications replace gold in electrical contacts. They are are transition metal nitrides and resilient tough, electrically conducting, resistant to fullerene-like C-based coatings. Ex-pertise is

149 provided on PVD deposition, plasma • Impact Coatings have commercialized the characterization, XPS, electron microscopy, coating combinations Ceramic MaxPhase and na-notribology, as well as theoretical Silver MaxPhase and also several deposition calculations. sys-tems • Amorphous carbide thin films crystallize during high-resolution TEM imaging. These results are profoundly important for any investigation of amorphous coating materials, as great care must be taken to avoid inducing artifacts by electron microscopy. • Decreasing grain size of cathodes improves properties of coatings • Novel nanolabyrinthine structure of ZrAlN results in extreme hardness • CemeCon AG, is finalizing the development of a new coating family based on the patented solu-tions, and knowledge generated in FunMat is used to design their next generation of deposition systems based on the HIPIMS technology Photo: CemeCon AG • CNx coatings deposited at LiU on SKF test rollers show 40% reduction in the friction • New Nanoscale Sensor Materials & Application coefficient The conducting ceramic materials offers a unique possibility for the challenging sensors • Films with high hardness can be deposited on developed in FunMat. Silicon carbide temperature-sensitive substrates (e.g. plastics) chemical sensors are commercialized for • SiC based sensors have been commercialized applications in harsh envi-ronment. In the and are developed within the center for SO2, FunMat center we develop ohmic contacts for CO, O , NO , NH3 and PM sensors temperatures ≥ 500°C and sensors e.g. for 2 x • SiC sensors with LTCC (Low Temperature NH3, SO2, H2S, NOx and soot. Epitaxially grown graphene on SiC, decorated with Co-fired Ceramic) functional packaging was nanopar-ticles of metals and metal oxides, is demonstrated as soot sensors in diesel developed as ultra-sensitive gas and exhausts at Ford biosensors. • An improved SiC-FET device detected formal- dehyde, benzene, naphthalene at ppb levels also in background of ethanol and to some extent with quantitative information

• Ti3SiC2 with capping layer of IrO2 forms a stable ohmic contact to SiC even at 600°C

• Graphene on SiC, with TiO2 nanoparticles, responded to ppb levels of formaldehyde and Graphene/SiC decorated by metal particles for benzene, particle size provide selectivity gas sensing • A monolayer of ferrous oxide on top of Pt as sensing layer in SiC gas sensors increased the

catalytic activity of CO to CO2 conversion con- Highlights 2015 siderably • Associate Professor Per Eklund has been award-ed Wallenberg Academy Fellow Center Board Stage 4 (2015-2016) • The generic knowledge gained in FunMat has Lennart Karlsson, SECO Tools AB (chair) been implemented in new manufacturing pro- cesses at partner companies. These processes Birgit Jacobson, CEI-Europe AB (deputy chair) are used in a large number of products. The Ann W Grant, Volvo Technology gained knowledge is also used to drive their William Salaneck, LiU material suppliers to provide tailor-made Peter Värbrand, LiU cathode materi-als.

150 Åke Öberg, ABB AB Research Engineers Hans Sjöström, SKF Thomas Lingefelt Management Team Peter Möller (50%) Prof. Anita Lloyd Spetz (Head, Theme 5 PhD students Leader) Konstantinos Bakoglidis (Lic June 2015) Prof. Magnus Odén (Deputy Head, Theme 2 Hossein Fashandi (Lic February 2015) Leader) David Engberg Assoc. Prof. Per Eklund (Research Coordinator, Bilal Syed Theme 1 Leader) Jennifer Ullbrand Assoc. Prof. Grzegorz Greczynski (Theme 4 Cecilia Goyenola (PhD October 2015) leader) Kristian Nygren (Uppsala, Industry PhD Ms. Therese Dannetun (Coordinator) student Impact Coatings) Prof. Emerita Rositza Yakimova (Senior Peter Möller (50%) Advisor) Prof. Lars Hultman (Senior Advisor, Founder of Post-docs FunMat, Head until June 2013, now Director of Lina Rogström SSF) Jianqiang Zhu Hanna Fager (parental leave from 21 sept 2015) Partner Companies Stage 4 (2015-2016) Olof Tengstrand (from 21 september 2015) ABB AB, Corporate Research CemeCon AG University collaborations Ford Motor Company Graphensic AB Uppsala University Impact Coatings AB University of Illinois, USA Ionbond Sweden AB University of Oulu, Finland Sandvik Tooling Sverige AB SECO Tools AB SenSiC AB Homepage SKF ERC www.liu.se/forskning/funmat Volvo Car Corporation

Senior Researchers Mike Andersson Esteban Broitman (Docent lecture Nov 27, 2015) Vanya Darakchieva Jens Eriksson (Docent lecture August 31, 2015) Naureen Ghafoor (Docent lecture May 13, 2015) Gueorgui Gueorguiev Hans Högberg Ulf Jansson (at Uppsala University) Anelia Kakanakova Jun Lu Per Persson Galia Pozina Donatella Puglisi

151 Linköping Linnaeus Initiative for Novel Functional Materials (LiLi-NFM) LiLi-NFM is a coordinated laboratory for Prof. Irina Yakimenko interdisciplinary research on advanced • Thin Film Physics materials. It is supported for 10 years by the Prof. Lars Hultman Swedish Research Council (VR) until 2016 by a Prof. Jens Birch Linnaeus Grant. The research environment Prof. Esteban Broitman Prof. Anne Henry constitutes the backbone of materials research Prof. Joseph E Greene at Linköping. It consists of ~150 researchers Prof. Ivan Petrov from 9 divisions at IFM. Prof. Michel Barsoum

• Director: Prof. Erik Janzén (acting) Prof. Lars Hultman (leave of absence) Objective • Deputy Director: Our objective is in doing basic research to Prof. Mats Fahlman (acting) fundamentally understand the atomistic nature • Scientific Secretary: of materials synthesis, structure, and Prof. Irina Yakimenko properties. We can thus extend the frontiers of • Coordinator: materials and nanosciences to expand the Ms. Malin Wahlberg scientific foundations for the development of materials that improve, e.g., the efficiency, Research Divisions and Principal environmental acceptability and safety in Investigators energy generation, conversion, transmission • Computational Physics Prof. Sven Stafström and use. The core activity of LiLi-NFM is within the • Functional Electronic Materials largest and most rapidly developing area of Prof. Weimin Chen Prof. Irina Buyanova physics research worldwide. In fact, the understanding of materials is the fundamental • Nanostructured Materials Prof. Magnus Odén driving force in natural science and basic engineering research. We focus on studies on • Plasma & Coating Physics Prof. Ulf Helmersson the nature of epilayers, thin films, and Prof. Nils Brenning nanoscale materials. Here, we are in the • Semiconductor Materials forefront regarding materials synthesis Prof. Erik Janzén including wide-band gap materials (SiC, BN, Prof. Peder Bergman AlN, GaN, ZnO), graphene, nanocomposites, Prof. Per-Olof Holtz superlattices, fullerene-like compounds, and Prof. Leif Johansson organic molecular materials. Prof. Bo Monemar Prof. Rositza Yakimova Our research concerns unsurpassed knowledge-based design of new functional • Surface & Semiconductor Physics Prof. Roger Uhrberg, materials for electronics, engineering, and the Prof. Wei-Xin Ni life sciences. We design material structures and Prof. Göran Hansson explore outstanding phenomena. We also seek • Surface Physics and Chemistry to discover novel phases. Prof. Mats Fahlman • Theory and Modeling Prof. Igor Abrikosov Prof. Sergei Simak

152 Graphene Flagship Strategic Recruitments Linköping University is taking part in the • Olle Kordina Graphene Flagship, which is funded by EC. The • Per Eklund decision of funding is opening for the graphene • Jens Jensen researchers new horizons to bring this amazing • Mathieu Linares material to revolutionary solutions in high • Daniel Dagnelund speed electronics, medical diagnostics, space research, etc. • Xianjie Liu Researchers at IFM have the knowhow to • Martin Magnuson produce one of the best graphene on silicon • Weine Olovsson carbide worldwide. In 2011 the first European • Henrik Pedersen company on epitaxial graphene (Graphensic • Iris Pilch AB) was founded as a spin off from LiU. One of the goals of the Graphene Flagship is to • Fredrik Söderlind bridge research and commercialization by • Daniel Söderström creating new and improved graphene products • Jan Stehr to be implemented in advanced applications, • Rickard Armiento which will bring added value to the society. • Volodymyr Khranovskyy • Yuttapoom Puttisong Strategy

It is our strategy for excellence to develop and integrate theory, simulations, and experiment. LiLi-NFM Workshops The philosophy for operating LiLi-NFM Outstanding Nanoscale Materials, organized by contains the following elements: Outstanding Nanoscale Materials cluster • Natural science and basic engineering project LiLi-NFM and KAW, Linköping research University, 17 March 2015 (organizers: Prof. M. • Strategic recruitments and tenure-track plans Odén, Prof. U. Helmersson and Prof. I. • Intra-disciplinary excellence Yakimenko), 35 participants. • Inter- and multi-disciplinary modus operandi First International Symposium on SiC Spintronics • Strong national & international collaboration organized by LiLi-NFM, AFM and KAW • State-of-the-art laboratories project: “Isotopic control for Ultimate Materials • Leading computational capacity Properties”, Stuttgart University (Germany) and • Synergy and added value from collaboration Linköping University, Vadstena 15-17 June 2015, 30 participants.

Competence Platforms Outstanding Materials Phenomena organized by LiLi-NFM supports the following competence Outstanding Nanoscale Materials cluster platforms around which several profile projects project LiLi-NFM and KAW, Linköping are operated: University, 20 November 2015 (organizers: 1) Materials Synthesis; Prof. M. Fahlman, Prof. W. Chen and Prof. I. 2) Materials Modeling; Yakimenko), 25 participants. 3) Advanced Materials Analysis

153 LiU 40 years Anniversary Symposium with Nobel formation of DX centers. This is corroborated laureate Prof. Hiroshi Amano, LiLi-NFM was a by the complementary EPR measurements co-organizer together with AFM, Agora which suggest formation of stable Si-related DX Materiae, Forum Scientum, EF study board and centers and increase in the activation energy of LiU40years the silicon donor for x>0.84.

LiLi-NFM Open Seminars In 2015 presentations were given by Prof. Yong- Hoon Cho, Quantum & Nanobio Photonics Lab, Department of Physics, KAIST, Korea, James S. Speck, Materials Department, University of California, Santa Barbara, CA, Prof. Seán T. Barry, Carleton University, Ottawa, Canada, Dr. S. Lourdudos, Laboratory of Semiconductor Materials, Department of Materials and Nano Physics, School of ICT, Kista, Prof. A.R. Peaker, Photon Science Institute, University of Manchester, UK, Dr. Susann Schmidt, Thin Film Physics Division, IFM

Scientific Highlights Exciton luminescence in AlN triggered by hydrogen and thermal annealing [M. Feneberg, N. T. Son, and A. Kakanakova- Georgieva, Appl. Phys. Lett. 106 242101 (2015)]

Figure: Carrier concentration, n, as measured On the behavior of Si donor in high-Al-content AlGaN by microwave-based contactless technique [D. Nilsson, X. T. Trinh, E. Janzén, N. T. Son, (diamonds), and net donor concentration (N and A. Kakanakova-Georgieva Phys. Status D –NA) as measured by C–V at 1 kHz at room Solidi B 252 1306 (2015)] temperature (squares). The atomic concentration of silicon, [Si], oxygen, [O], and High-Al-content AlGaN material system carbon, [C], measured by SIMS is indicated. (b) dominates the development of deep UV LEDs Donor concentration, ND, estimated from EPR for implementation in portable units for water/ measurements in darkness at elevated air/surface disinfection and sterilization. We temperatures (40–160K) (filled circles) and achieve deeper understanding of the under illumination with light of photon mechanisms which limit the efficiency of n-type energies ~2.9 eV (open circles). doping in this material system. Efficient Si

doping and low resistive AlxGa1-xN layers were Shallow donor in natural MoS2 [N.T. Son, Yong-Sung obtained for x~0.79 whereas an exponential Kim, and E. Janzén, Phys. Status Solidi RRL 9, drop in carrier concentration was observed for 707 (2015)] x>0.84. Degradation of the structural quality Molybdenum disulphide (MoS2) has recently and compensation by oxygen and carbon emerged as one of the most promising two- impurity were ruled out as possible dimensional semiconductors. Impressive field- explanations for the increased resistivity. effect transistors, integrated circuits, Frequency dependent C–V characteristics of phototransistors and sensors based on single AlxGa1-xN:Si layers of x>0.84 indicate the and multilayers exfoliated from natural MoS2

154 have been demonstrated. However, the donor We have employed high level ab initio that gives rise to free carriers in the devices is calculations, namely the Møller–Plesset still not known. Investigation of the electronic perturbation theory second-order of structure of the shallow donor using optical approximation (MP2), to predict the techniques such as photoluminescence (PL) is equilibrium structure, stability, reactivity, and not possible since indirect-gap bulk MoS2 gives Raman scattering properties of novel (H3C) rise to no PL emissions while PL spectra in nX-(SiH3)3−n compounds (X = B, Al, Ga, In). For direct-gap monolayers show mainly band-to- a methodological comparison, we have also band transitions. In MoS2, the conduction band employed DFT calculations within the PW91 minimum (CBM) locates at low-symmetric approach and additionally addressed the k-point and there will be six equivalent CBMs. chemical reactivity indices of the systems. Most In pristine crystals, their electronic states are of these compounds may serve as templates for degenerated. In the presence of a donor building/synthesizing new materials. Currently, impurity, its central core potential will split up only the pure (H3C)3X members of the triels, the degeneracy, causing the splitting of the namely trimethylboron (TMB), ground state level of the donor, called the trimethylaluminum (TMA), trimethylgallium valley-orbit (VO) splitting. The VO splitting (TMG), and trimethylindium (TMI), are well- depends on the core potential of the donor and, known and commercially available, while the hence, can be used for identification of the remaining twelve (H3C)nX-(SiH3)3−n impurity. Combining electron paramagnetic compounds (n = 0–2) are a novelty. By resonance and density functional theory increasing n (i.e., fewer silyl groups and more calculations, we show that the shallow donor methyl groups) for all metal elements, the responsible for the natural n-type conductivity (H3C)nX(SiH3)3−n molecules become less in bulk MoS2 is rhenium (Re) with a VO split of reactive and more stable. Thus, it may be more ~3 meV and an ionization energy of ~26 meV. demanding to synthesize the silyl saturated

Calculations show that the VO split of Re (H3C)nX(SiH3)3−n counterparts. On the other reaches the bulk value when the number of hand, being more reactive, the silyl saturated layers is larger than four and increases to ~97.9 (H3C)nX(SiH3)3−n may be of more interest as meV in a monolayer. highly reactive intrinsic/intermediate precursors, playing a role in certain deposition processes. We have proposed sequential

reaction routes for the synthesis of all the (H3C)

nX(SiH3)3−n compounds, by the substitution of methyl by silyl groups, where the Si source is the silane gas. Our calculations performed at the MP2 level of theory demonstrate that, except in the case of the B-containing compounds, all other products are energetically Figure: Temperature dependence of the donor more favorable than the reactants. The concentration on the ground state (left) and the corresponding reaction barriers for these hexagonal Brillouin zone of 1×1 unit cell and chemical transformations remain in the energy

6×6 supercell of MoS2 (right). range typical for MOCVD processes involving the corresponding precursors. We have also Feasibility of novel (H3C)nX(SiH3)3−n compounds (X = calculated the Raman spectra and

B, Al, Ga, In): structure, stability, reactivity, and Raman depolarization ratios of all (H3C)nX(SiH3)3−n characterization from ab initio calculations compounds, thus providing useful data for their [Renato B. dos Santos, R. Rivelino, F. de Brito identification. Mota, A. Kakanakova-Georgieva, G. K. Gueorguiev, Dalton Transactions, 44, 3356 (2015)]

155 Frenkel-pair NI and NV recombine within a fraction of ns; ~50% of these processes result in the exchange of two nitrogen lattice atoms (N–

NExc). Occasionally, however, Frenkel-pair N-interstitial atoms permanently escape from the anion vacancy site, thus producing unpaired NI and NV point-defects.

Nanoprobe mechanical and piezoelectric characterization of ScxAl1xN(0001) thin films [Agne Žukauskaite, Esteban Broitman, Per Sandström, Lars Hultman, and Jens Birch, Phys. Status Solidi A 212, No. 3, 666–673 (2015) / DOI 10.1002/pssa.201431634] Nanoindentation with in-situ electrical characterization is used to investigate piezoelectric scandium aluminum nitride

(ScxAl1-xN) thin films with Sc contents up to Figure: Optimized structures including bond x=0.3. The films are prepared by reactive

lengths (in Å) for the (H3C)nX(SiH3)3−n magnetron sputtering using Al2O3 substrates compounds at both MP2 and PW91 (values in with TiN seed layers as bottom electrodes at a parentheses) levels of theory. substrate temperature of 400 °C. X-ray diffraction shows c-axis oriented wurtzite

Nitrogen vacancy, self-interstitial diffusion, and ScxAl1-xN, where the crystal quality decreases Frenkel-pair formation/dissociation in B1 TiN studied by with increasing x. Piezoresponse force ab initio and classical molecular dynamics with microscopy in mapping mode reveals a single optimized potentials [D. G. Sangiovanni, B. piezoelectric polarization phase in all samples. Alling, P. Steneteg, L. Hultman, and I. A. The hardness decreases from 17 GPa in AlN to

Abrikosov, Phys. Rev. B 91 054301 (2015)] 11 GPa in Sc0.3Al0.7N, while reduced elastic We use ab-initio and classical molecular modulus decreases from 265 GPa to 224 GPa, dynamics (AIMD and CMD) based on the respectively. Both direct and converse modified embedded atom method (MEAM) piezoelectric measurements are demonstrated potential to simulate diffusion of N vacancy and by first applying the load and generating the N self-interstitial point-defects in B1 TiN. TiN voltage and later by applying the voltage and MEAM-parameters are optimized to obtain measuring film displacement using a CMD nitrogen point-defect jump-rates in conductive boron doped diamond nanoindenter

agreement with AIMD predictions, as well as tip. The Sc0.2Al0.8N films exhibit an increase in

an excellent description of TiNx (~0.7 < x ≤ 1) generated voltage in comparison to AlN and a elastic, thermal and structural properties. We correspondingly larger displacement upon determine N dilute-point-defect diffusion applied voltage, comparable to results obtained pathways, activation energies, attempt by double beam interferometry and frequencies, and diffusion coefficients as a piezoresponse force microscopy. function of temperature. In addition, present- work CMD simulations reveal an unanticipated Structure and bonding in amorphous iron carbide thin atomistic process, which controls the films [Andrej Furlan, Ulf Jansson, Jun Lu, Lars spontaneous formation of N-self-interstitial/N- Hultman and Martin Magnuson, J. Phys.: vacancy (NI/NV) pairs (Frenkel pairs), in Condens. Matter 27 (2015) 045002 (9pp) defect-free TiN. This entails that a N lattice doi:10.1088/0953-8984/27/4/045002] atom leaves its bulk position and bonds to a We investigate the amorphous structure, neighboring N lattice atom. In most cases, chemical bonding, and electrical properties of

156 Energetics at Doped Conjugated Polymer/Electrode magnetron sputtered Fe1−x Cx (0.21≤x≤0. 72) thin films. X-ray, electron diffraction and Interfaces [Qinye Bao, Xianjie Liu, Slawomir transmission electron microscopy show that the Braun, Feng Gao and Mats Fahlman, Advanced Materials Interfaces, 2 (2015) 1400403] Fe1−x Cx films are amorphous nanocomposites, consisting of a two-phase domain structure with Fe-rich carbidic FeCy , and a carbon-rich Energy level bending in ultrathin polymer layers matrix. Pair distribution function analysis obtained through Langmuir-Shäfer deposition [Qinye indicates a close-range order similar to Bao; Simone Fabiano; Mattias Andersson; Slawomir Braun; Zhengyi Sun; Xavier Crispin; those of crystalline Fe3 C carbides in all films with additional graphene-like structures at high Magnus Berggren; Xianjie Liu; Mats Fahlman, carbon content (71.8 at% C). From x-ray Advanced Functional Materials, in press] photoelectron spectroscopy measurements, we Interface engineering for efficient charge find that the amorphous carbidic phase has a injection/extraction in organic electronic composition of 15–25 at% carbon that slightly devices plays a crucial role for the technology of increases with total carbon content. X-ray e.g. organic light emitting diodes and solar cells. absorption spectra exhibit an increasing In a series of papers, we provide a unified model number of unoccupied 3d states and a for how the alignment of energy levels at decreasing number of C 2p states as a function interfaces are modified by doping and by thin of carbon content. These changes signify a ion-containing electrode interlayers, thereby systematic redistribution in orbital occupation enabling efficient design of materials and device due to charge-transfer structures. We also explore the much debated effects at the domain-size-dependent carbide/ phenomena of energy level bending in organic matrix interfaces. The four-point probe semiconductor films, where by using Langmuir- Shäfer layer-by-layer deposition of polymers we resistivity of the Fe1−x Cx films increases exponentially with carbon content from ~ tracked the spatial dependence of the energy 200μΩcm (x = 0. 21) to ~ 1200μΩcm (x = level bending at a precision never achieved for 0.72), and is found to depend on the total semiconducting polymers. The precision in carbon content rather than the composition of both the film fabrication and experimental the carbide. Our findings open new possibilities approach enabled us to present a model that for modifying the resistivity of amorphous thin explains both our results and those previously film coatings based on transition metal carbides described in literature. through the control of amorphous domain structures.

Liquid-Target Reactive Magneton Sputter Epitaxy of High-Quality GaN(000-1) Nanorods by on Si(111) [M. Junaid, Y.-T. Chen, J. Palisaitis, M. Garbrecht C.-L. Hsiao, P. O. Å. Persson, L. Hultman, and J. Birch. Materials Science in Semiconductor Processing (2015) in press]

Regular Energetics at Conjugated Electrolyte/Electrode Modifier for Organic Electronics and their Implications on Design Rules [Qinye Bao, Xianjie Liu, Ergang Figure: Energy level bending in pristine and Wang, Junfeng Fang, Feng Gao, Slawomir annealed rr-P3HT Langmuir-Shäfer films, see Braun and Mats Fahlman, Advanced Materials DOI: 10.1002/ adfm.201504729. Interfaces, 2 (2015) 1500204]

157 Thermal stability of the important compensating (AlZn –

VZn) center in ZnO [J. E. Stehr, W. M. Chen, B. G. Svensson, and I. A. Buyanova, in press] In this work we used electron paramagnetic resonance spectroscopy to investigate thermal

stability of the Aluminum - Zinc vacancy (AlZn-

VZn) complex created in bulk single crystalline ZnO by room temperature electron irradiation with energies of 1.2 MeV. Two different stages in the annealing process at 160 and 250 °C with

activation energies of EA1 = 1.5±0.2 eV and EA2 = 1.9±0.2 eV, respectively, were observed. The second stage leads to the complete annealing

out of the (AlZn-VZn) complex that is accompanied by restoration of the

concentration of AlZn shallow donor centers to its initial value in as-grown (i.e. not irradiated) material. The obtained results prove that the

(AlZn-VZn) complex is the dominant acceptor responsible for compensation of n-type- Figure: (a) Relaxed structure of the 2LG/Si- N/ conductivity in the studied Al-containing ZnO. SiC(0001) system showing optimized interlayer distances. The dark blue spheres represent Si, the light gray spheres represent N, while the Charge neutrality in epitaxial graphene on 6H-SiC (0001) brown spheres represent carbon. Electronic via nitrogen intercalation [Nuala M. Caffrey, band structure of the (b) 0LG/Si-N/SiC(0001), Rickard Armiento, Rositsa Yakimova, and Igor (c) 1LG/SiN/SiC(0001), and (d) 2LG/Si-N/ A. Abrikosov, Phys. Rev. B 92, 081409(R)] SiC(0001) systems. 1LG and 2LG is 3.38 The electronic properties of epitaxial graphene grown on SiC(0001) are known to be Complex 3D Nanocoral-Like Structures Formed by impaired relative to those of freestanding Copper Nanoparticle Aggregation on Zinc Oxide graphene. This is due to the formation of a Nanorods [R Boyd et al] carbon buffer layer between the graphene layers Here we report on the formation of, we and the substrate, which causes the graphene believe, a unique structure of nanoparticles layers to become strongly n-doped. Charge formed on ZnO nanorods. Such a structure hold neutrality can be achieved by completely great potential in forming the basis for novel passivating the dangling bonds of the clean SiC catalytic materials. Copper nanoparticles were surface using atomic intercalation. So far, only produced and deposited directly onto nanorods one element, hydrogen, has been identified as a using a pulsed plasma-based method. Rather promising candidate. We show, using than seeing the expected core-shell structure, first-principles density functional calculations, the nanoparticles arrange themselves into how it can also be accomplished via the growth fibril-like structures giving them the of a thin layer of silicon nitride on the SiC appearance of marine coral. The fibril-like surface. The subsequently grown graphene structures were compared to a diffusion- layers display the electronic properties limited-aggregation model. A good agreement associated with charge neutral graphene. We between the observed structures and the model show that the surface energy of this structure is were obtained when restricting the downward considerably lower than that of others with motion of nanoparticles. intercalated atomic nitrogen and determine how its stability depends on the N2 chemical potential.

158 cell with respect to Ag(111). (b) Band structure

obtained by ARPES. S1 and S2 are silicane bands. (c) Atomic model of half-silicane (hydrogen-pink, silicon-blue). (d) Calculated

band structure of the model in (c). Σ1 and Σ2

bands correspond to the experimental bands S1

and S2.

Super-radiant mode in InAs-monolayer-based Bragg structures [G. Pozina, M.A. Kaliteevski, E.V. Nikitina, D.V. Denisov, N.K. Polyakov, E.V. Figure: (a) Diffusion-limited-aggregation Pirogov, L.I. Gorai, A.R. Gubaidullin, K.A. (DLA) model of the deposition of nanoparticles Ivanov, N.A. Kaliteevskaya, A.Yu. Egoro, S.J. on nanorods, (b) DLA model with restricted Clark. Scientific Reports 5, 14911 (2015); movement and (c) an SEM image of the fibrils. doi:10.1038/srep14911]. Experimental evidence of the collective Band structure of hydrogenated silicene on Ag(111): super-radiant (SR) mode has been observed in Evidence for half-silicane [W. Wang, W. Olovsson, Bragg structure consisting of 60 InAs triple and R. I. G. Uhrberg, Phys. Rev. B, 93, quantum wells (QWs) periodically arranged in 081406(R) (2016)] GaAs matrix. Time-resolved In this study, hydrogenation of (“2√3×2√3”) photoluminescence (TRPL) measurements silicene on Ag(111) was studied by low energy detected for different wave vectors reveal an electron diffraction (LEED), scanning appearance of the additional mode, originated tunneling microscopy (STM), and angle- from a coherent collective interaction of QWs. resolved photo-electron spectroscopy (ARPES). We found that this SR mode demonstrates a STM images of the hydrogenated silicene reveal super-linear dependence of the intensity and a hexagonal structure with the periodicity of the radiative decay rate on the excitation power as silicene (1×1) lattice and vacancies with a quasi shown in Figure. (2√3×2√3) periodicity. The ARPES data show two dispersive bands which are in good agreement with the theoretical band structure, calculated for a half-silicane model with hydrogen adsorbed on one of the two hexagonal sub-lattices of free-standing silicene.

Figure: TRPL images taken at high (a) and low (b) excitation power. (c) Time-integrated PL spectra measured at different powers. (d) Dependence of the PL intensity for the SR mode and for the InAs exciton state X1 on the Figure: (a) STM image of half-silicane with pumping power P. typical defect structure. The (1×1) periodicity of half-silicane is indicated by a green diamond and the red diamond illustrates a (2√3×2√3)

159 Light emission enhancement from ZnO nanostructured films grown on Gr/SiC substrates [V. Khranovskyy, I. Shtepliuk, I.G. Ivanov, I. Tsiaoussis, R. Yakimova, Carbon 99 (2015) 295-301, [1].

Theoretical study of the O- and Zn-face polarity effect on the optical properties of the conventional and staggered ZnO/Zn1-xCdxO/ZnO quantum wells [I. Shtepliuk, V. Khranovskyy and R. Yakimova, Thin Solid Films 594 (2015) 323-327, [2].

• Wide band gap semiconductor (ZnO) on Graphene heterostructures (ZnO/Gr/SiC) are Figure: Photoluminescence spectra of ZnO thin fabricated and studied. It is revealed, that despite the low growth temperature and large films, deposited on graphene substrate (ZnO/Gr) difference in lattice parameters, the films in comparison to the identical samples on deposited possess advanced crystal properties conventional Si and SiC substrates. The (i. e. are strain-free, with no in-plane epitaxial background of the image of delaminated thin relationship and are weakly attached to the ZnO film from the Gr/ZnO substrate substrate). • An unusually high ultraviolet and visible Operation of graphene quantum Hall resistance photoluminescence was observed from the ZnO/Gr/SiC heterostructures in contrast to standard in a cryogen-free table-top system [T J B M identical samples on conventional substrates, Janssen, S Rozhko, I Antonov, A Tzalenchuk, J e. g. Si and SiC (Figure). M Williams, Z Melhem, H He, S Lara-Avila, S • The phenomena observed are explained with Kubatkin and R Yakimov,. 2D Materials 2 the graphene role as a dangling bond free (2015) 035015, [1]. substrate and a back reflector of a Fabry-Perot cavity which is formed at a certain thickness Interface disorder probed at the atomic scale for of the ZnO layer [1]. graphene grown on the C face of SiC [G. Nicotra, I. • The theoretical study of the conventional and Deretzis, M. Scuderi, C. Spinella, P. Longo, R. staggered ZnO/Zn1-xCdxO/ZnO quantum wells predicts the essential O- and Zn-face Yakimova, F. Giannazzo, and A. La Magna, polarity effect on its optical properties [2]. Phys. Rev. B 91 (2015) 155411, [2]. • The conventional Zn-face and O-face QWs are expected to possess the similar values of Graphoepitaxy of High-Quality GaN Layers on transition energy and an overlap of electron Graphene/6H-SiC [András Kovács, Martial and hole wave functions. Duchamp, Rafal E. Dunin-Borkowski, Rositza • A change of the polarity from Zn-face to Yakimova, Péter L. Neumann, Hannes O-face for the conventional QWs influences Behmenburg, Bartosz Foltynski, Cristoph only a shape of the conduction and valence Giesen4, Michael Heuken and Béla Pécz, Adv. band edge profile. Mater. Interfaces 2 (2015) 1400230, [3]. • Control of the material polarity and design of the staggered QWs provide cost-effective • Elaboration of growth and approach for engineering the QW band characterization protocols for large area structures with enhanced QW performance. monolayer graphene on SiC • Graphene growth epitaxially on Si-face SiC and the morphology is governed by the quality of the buffer layer. • Monolayer graphene free of bilayer inclusions is required for high frequency transistors and quantum Hall resistance because of increased mobility

160 • Graphene on C-face is not epitaxial and is and N-terminated to accommodate the excess preceded by an amorphous carbon interface N flux. N vacancies are formed in the surface with the substrate layer during deposition with N/Ti = 1. The • We have realized grapho-epitaxy of GaN on vacancy concentration is significantly reduced graphene templates. as N/Ti is increased to 2; with N/Ti = 4, Ti vacancies dominate. Overall, our results show that increasing the N/Ti flux ratio yields flatter films growing in a more layer-by-layer mode with island orientations changing from mixed 100 and 110 to predominantly N-terminated 110. (a)

(b)

Figure: LEED pattern from an ideal buffer layer (a) and a representative reflectance map of the subsequently grown epitaxial graphene (b). Bilayer inclusion is only 1.4% (yellow stripe) for 20x20 mm2 SiC substrate.

The dynamics of TiNx (x = 1-3) admolecule interlayer and intralayer transport on TiN/TiN(001) islands [D. Edström, D.G. Sangiovanni, L. Hultman, I. Petrov, J.E. Greene, V. Chirita, Thin Solid Films 589, 133 (2015)] Large-scale classical molecular dynamics (CMD) simulations of epitaxial TiN/TiN(001) thin film growth at 1200 K are carried out using incident flux ratios N/Ti = 1, 2, and 4. The films are analyzed as a function of stoichiometry, island size distribution, island edge orientation, and vacancy formation. Results show that N/Ti = 1 films are globally understoichiometric with dispersed Ti-rich surface regions which serve as traps to nucleate 111-oriented islands, leading to local epitaxial breakdown. Films grown with N/ Ti = 2 are approximately stoichiometric and the growth mode is closer to layer-by-layer, while N/Ti = 4 films are stoichiometric with N-rich surfaces. As N/Ti is increased from 1 to 4, island edges are increasingly polar, i.e. 110-oriented,

161 Linköping Biosensors and Bioelectronics Centre (LBB) Staff General information • Professors: Anthony (Tony) Turner and www.ifm.liu.se/biosensors Fredrik Winquist. Established at the end of 2010, the Centre’s • Emeritus Professor: Ingemar Lundström. ambition is to harness the many synergies, • Associate Professors: Valerio Beni, Edwin fundamental research activities and innovation Jager, Martin Wing Cheung Mak, Ashutosh at LiU to facilitate the creation of the next Tiwari and Lokman Uzun. generation of bioelectronic devices and to • Managing Editor: Alice Tang-Turner support the national and worldwide • Postdocs: Md Ashaduzzaman, Alexandre development of the field. The mission of the Khaldi, Ali Maziz and Hirak K. Patra. Centre is to improve the quality of life, health • PhD students enrolled at LiU: Mohsen and the environment by the provision of Golabi, Onur Parlak, Manav Tyagi, Alina distributed diagnostics and personalised Sekretaryova and Yong Zhong. analytical tools and therapies. The Centre’s • Visiting Scholars: Richard Meldau, Anis principal tools are high level research, advanced Nordin, Filiz Kurulay and Elie Terver. teaching and the organisation of specialist • Visiting PhD Students: Sawsen Azzouzi, conferences and workshops. Work at the Centre Zahra Bagheryan, Deni Chan, Maryam today spans a full range of core technologies Fathollahzadeh, Usisipho Feleni, Ilgim including: bioimaging and drug delivery; bio- Göktürk, Roghayeh Imani, Kamalodin Kor, Yu Liu, Abolfazi Mirzapoor, Prashant Mishra, inspired and bio-specific ligands; biointerfaces; Sachin Mishra, Adeniyi Osikoya, Erdogan biomaterials; biomolecular electronics; Özgür, Babak Rezaei, Elham Sheikzadeh, biosensors; chemical transducers; pre-clinical Nuradawiyah Zaidon and Mykhailo Zhybak. trials; printing and microfabrication; micro- • Master students enrolled at LiU: Kalle actuators; nanomaterials and nanostructures; Bunfors, Daniel Falk, Erika Johansson, tissue scaffolds; smart materials and Linnea Mellberg, Marjam Memarpuri and nanomaterials; therapeutics; and user Hama Nadhom. interfaces and electronic design. We are • Visiting Master students: Ravisha Bhatia, working closely with IGEN, headed by May Niharika Rawat and Yuxiang Zhao. Griffith, ACREO Swedish ICT AB in • Research Administrator: Anette Andersson Norrköping and a wide variety of international collaborators in universities, institutions and companies around the World. We continue to take a prominent role in leading international initiatives and coordinating our fields of interest, especially in the areas of Biosensors, Bioelectronics, Actuators and Advanced Materials, by running major international meetings (e.g. World Congress on Biosensors), coordinating collaborative networks and editing leading publications (e.g. Biosensors Onur Parlak’s PhD Thesis “Nailing”, August 2015 and Bioelectronics etc.). We also take a large number of visitors each year, funded by scholarships from their national Governments or universities (particularly from Iran, China

162 and India), thus providing advanced education of the Advanced Materials World Congress, and technology transfer to emerging economies. here in Sweden. The conference departed from Stockholm on the 23 August 2015 and returned on 26 August. AMWC, 2015 was a four-day London science museum international event held on board the Viking The work of the Centre featured in a summer Cruise Line’s MS Mariella, providing the ideal exhibition at the London Science Museum platform for researchers and engineers coming entitled “Who Am I?” Our integrated biosensor from academia and industry, and from across platform for mobile health applications, in the globe, to present their research results in collaboration with Acreo Swedish ICT AB, was the field of materials science and technology. part of a showcase called “Too Much The IFM Organising Committee comprised Information?” which displayed leading edge, Ingemar Lundström, Onur Parlak, Mikael future diagnostic technologies and explained Syväjärvi, Ashutosh Tiwari, Tony Turner, Iryna how vast amounts of information about our Valyukh and Sergiy Valyukh. www.vbripress. health, the food we eat and our interaction with com/amwc the environment will shortly become available. It posed the question as to how best to handle Digital Health Days this enormous amount of data and explored the Tony Turner chaired the Scientific Advisory role of expert systems in help guide us to the Board and gave a presentation at Digital Health right decisions. The exhibition had many Days held at Stockholmsmässan in Stockholm, thousands of visitors and our technology 23-24 September 2015. Digital Health Days is received wide press coverage. a high profile event attracting considerable press and media coverage. The inaugural event was attend by HRH Prince Daniel and it is a meeting place for businesses from ICT, life science and health. Topics included Investment Trends in Digital Health, Digital Health - Status, Best Practice and Critical Overview and Transformation of Healthcare, the session that Tony Turner introduced, Digital Health, is one of the fastest moving industries at the moment. His interview can be viewed online at: Conferences and workshops www.youtube.com/watch?v=xwzKb2hsXMA Advanced Materials World Congress 2nd International Congress on Biosensors The Centre organises the Advanced Materials The Centre, as part of the Pathoscreen project World Congress series, which began life in dissemination activities, organised a half-day China, in May 2011, with 1,200 delegates from workshop on Aptamer Biosensors that was held 36 different countries. Then we moved to Cesme as part of the 2nd International Congress on in Turkey for the 2nd meeting, held in Biosensors (10th-12th June 2015, Izmir, September 2013, and hosted by the Izmir Turkey). Moreover the Centre contributed to Institute of Technology. There, 42 different the main conference with 1 plenary lecture and countries were represented. This year we 5 oral contributions and sponsored, via the welcomed our delegates to the 5th anniversary

163 Pathoscreen project, the participation of 5 Journals young researchers and 4 senior researchers from Sweden, Turkey and Iran. http://biosensor2015.gediz.edu.tr/default. aspx.

Biosensor and Bioelectronics (Elsevier) LBB is home to the principal journal in the field,Biosensors and Bioelectronics, published by Elsevier. The journal celebrated its 30th Anniversary this year. Tony Turner is a The World Congress on Biosensors cofounder of the journal and the Editor-In- Chief, Alice Tang-Turner is the Managing The Centre will once again be organising the Editor and Ingemar Lundström is an Editor. World Congress on Biosensors, which Tony The journal maintained an impressive Impact Turner founded in 1990. The 26th Anniversary Factor of 6.409 this year, thus retaining its World Congress, Biosensors 2016, will be place as the highest ranking research hosted at the impressive Swedish Exhibition publication in the entire field of Analytical and Congress Centre by the Gothia Towers in Chemistry, as defined by ISI, and also as the top Gothenburg, Sweden 25-27 May 2016. It will be journal in both Electrochemistry and in preceded on Tuesday 24 May by a Summer Sensors. The team handled around 3,000 School on Mobile Diagnostics, which will be submissions in 2015. www.elsevier.com/ chaired by Daniel Filippini from IFM and locate/bios Michael Poelsson from Swedish ICT, and will be followed by a post-congress symposium on Advanced Materials Letters Cancer Diagnostics on Saturday 28 May, which will act as the principal dissemination event for Ashutosh Tiwari is Editor-In-Chief of our EU IRSES programme Advanced Materials Letters, published by VBRI SMARTCANCERSENS. The Congress has Press. The journal has an Impact Factor 1.9. already received over 1500 abstract submissions www.amlett.com and around 20 members of the Centre will be attending. We will also have a LiU exhibition Books stand. We will be organising Biosensors 2018 in Advanced Materials book series Washington, USA. Two further volumes in the Advanced Materials www.biosensors-congress.elsevier.com series, edited by Ashutosh Tiwari, were published by Scrivener Publishing and co-published with John Wiley & Sons in 2015.

164 SIMARC Swedish Interdisciplinary MAgnetic resonance (ODMR), to identify chemical nature Resonance Center and geometrical structure of defects, impurities and dopants that are important in Staff semiconductor materials and nanostructures. • Director: Prof. Weimin Chen The activities in this area during 2015 were • Lab manager: Ass. Prof. Jan Stehr focused on: (i) Ga(In)NAs(P) dilute nitrides; • Board: Prof. Anders Lund, Linköping Univ., (ii) SiC; (iii) ZnO; (iv) III-V-N; (v) III-V Chair nanowires; (vi) organic semiconductors. Prof. Weimin Chen, LiTH, Linköping Univ. Prof. Per Hammarström, LiTH, Linköping Univ. EPR dosimetry Prof. Erik Janzén, LiTH, Linköping Univ. The aim is to improve EPR dosimetry (ionising Prof. Eva Lund, HU, Linköping Univ. radiation dose measurements) to be a Doc. Ann Magnusson, Uppsala Univ. competitive dosimetric method for applications Prof. Bo Monemar, LiTH, Linköping Univ. Prof. Einar Sagstuen, Oslo Univ. (Norway) in radiation therapy. We worked with optimization of measurement precision and • Senior scientists: Prof. Irina Buyanova, Prof. Uno Carlsson, Prof. Weimin Chen, Ass. Prof. accuracy in dose measurements by Håkan Gustafsson, Prof. Per Hammarström, development of new dosimeter read-out Prof. Erik Janzén, Prof. emeritus Anders protocols and introducing a smaller dosimeter Lund, Prof. emeritus Eva Lund, Prof. 3 mm instead of 5 mm diam. and height. We emeritus Bo Monemar, Ass. Prof. Jan Stehr, were also searching for new dosimeter Prof. Nguyen Tien Son materials with higher sensitivity and better • Postdoc researchers: Dr. Emelie Adolfsson, tissue equivalence with respect to attenuation Dr. Xiaoqing Chen, Dr. Alexandr Dobrovolsky (- March 2015), Dr. Yuttapoom Puttisong and scattering of ionizing radiation. After having clinically evaluated the lithium formate • PhD students: Stanislav Filippov, Yuqing Huang, Mattias Jansson (Sept 2015-), Frank EPR dosimeter system for dosimetry in for Mehnke (visiting), Xuan Thang Trinh instance intensity modulated radiation therapy (IMRT) and brachytherapy with electronic • Administrative/Technical staff: Susanne Andersson sources i.e. a micro X-ray tube we are now evaluating the system for proton radiation therapy. Further the robust design and high Summary of activities stability of the dosimeters were used for verification of the whole radiotherapy chain. The research activities at SIMARC cover several areas of various disciplines, including materials Retrospective dosimetry by means of EPR science, chemical physics, chemistry, radiation spectroscopy physics and medical science. The materials EPR spectroscopy measurements of chewing studied include advanced semiconductor gums and sweeteners sorbitol and xylitol have materials and nanostructures, organic materials been performed in order to optimize their use for dosimetry and biochemical materials. as retrospective dosimeters. We participated in an international intercomparison on Important defect issues and recombination retrospective dosimetry of Touch Glass in processes in semiconductor materials mobile telephones. Radical identification, The goal is, by electron paramagnetic resonance transitions, stability, dose response and light (EPR) and optically detected magnetic

165 dependence have been investigated. NWs grown by rapid thermal chemical vapor Retrospective dosimetry on finger nails has deposition, from the EPR spectroscopy. The been performed with a focus on the preparation incorporated nitrogen atoms were concluded to

procedures to avoid mechanically induced mainly reside at oxygen sites (NO). The NO signals. First attempts were made on imaging of centers were suggested to be located in the dose distribution in tooth enamel by proximity to the NW surface, based on their imaging of simple geometries of enamel grains reduced optical ionization energy as compared in paraffin and carbonated hydroxyapatite. with that in bulk. This implied a lower defect formation energy at the NW surface as Medical applications of EPR imaging (EPRI) compared with its bulk value, consistent with Research aiming to use EPRI for medical theoretical predictions. The revealed facilitated applications such as: (i) imaging of radical incorporation of nitrogen in ZnO distributions in atherosclerosis for a better nanostructures may be advantageous for understanding of the role of reactive oxygen realizing p-type conducting ZnO via N doping. species (ROS) in atherosclerosis; (ii) imaging of The awareness of this process can also help to radical distributions for experimental prevent such unintentional doping in structures verifications of calculated dose distributions in with desired n-type conductivity. radiation therapy of cancer, e.g. narrow beam dose distributions and interface dose distributions; (iii) imaging and spectroscopy of spin-labelled amyloid proteins involved in degenerative diseases.

PhD and lic. theses PhD thesis: “Electron paramagnetic resonance studies of point defects in AlGaN and SiC” Xuan Thang Trinh.

Education activities We have also been actively involved in undergraduate and graduate education. During 2015, the courses in “Semiconductor Technology” (TFYA39), “Perspectives on Physics” (TFFM12), “Experimental Physics” Fig.1. Illustration of the suggested doping (TFFM08), “Material characterization by mechanism together with a typical EPR spectrum of the N center. Magnetic Resonance Spectroscopy” were given. O

Highlights Collaborations Efficient nitrogen incorporation in ZnO nanowires [Sci. About 30 research groups worldwide. Reports, Article number:13406 (2015)] We provided experimental evidence for unintentional incorporation of nitrogen in ZnO

166