Paul Michael O' Neill

Werner A. Hofer, 06/04/2018

CURRICULUM VITAE

WERNER HOFER

1 Werner A. Hofer, 06/04/2018

CURRICULUM VITAE

Werner Hofer

SECTION 1- PERSONAL DETAILS, QUALIFICATIONS AND EXPERIENCE

1.1 Personal Details

DATE OF BIRTH: 28th May 1960 NATIONALITY : Austrian STATUS : Partner, one child

Work: Home:

Departments of Chemistry and Physics 47 Mossley Hill The University of Liverpool Road Liverpool L69 3BX L19 3PX United Kingdom United Kingdom 0151-794-3879 0151-724-7796 E-Mail: [email protected]

1.2 Education

1st Class Honours Degree in Physics (Dipl. Ing)

Technical University of Vienna 1995-1997

PhD with first class honours in Solid State Physics (Dr. techn.)

Technical University of Vienna

•Supervisors: Professor P. Varga and Professor J. Redinger 1997-1999

During my PhD I developed a theoretical method to describe the transitions of electrons in a vacuum barrier, which is the basis for the simulation of scanning tunneling microscopes to this day. The design and testing of the numerical methods involved a wide range of applications, and the work of my PhD thesis was subsequently published in four separate papers.

Postdoctoral Research Fellow

Center for Materials Science, Technical University of Vienna, Gumpendorferstr. 1A, A-1060 Vienna, Austria

•Supervisor: Professor Josef Redinger 1999

Carried out numerical simulations of complex metallic interfaces and adapted the numerical methods for parallel processing.

Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom

•Supervisor: Professor Andrew Fisher 1999-2002

The work involved a collaboration with the experimental group of Professor Robert Wolkow, Canadian Centre for Nanotechnology, studying the adsorption and transport properties of organic molecules on silicon. The electronic properties of these molecules proved to be dependent on their adsorption sites and the electronic environment on the surface. This line of work, which till then had not been undertaken with sufficiently precise theoretical methods, is the basis of today’s drive in molecular electronics. The transport methods refined during this period proved to be suitably precise to tackle even difficult problems of interaction. For this work I was awarded a Senior Fellowship in January 2002.

1.3 Membership of Professional Bodies

CCP3 British high-performance computing network on surfaces and interfaces (since 2003) CCP9 UK Car-Parinello Consortium (since 2005) CIFAR Canadian Institute for Advanced Research (since 2006) IOP FinstP since 2008

1.4 Academic Appointments and Awards since 2002

Appointed Lecturer in Chemistry and Physics, University of Liverpool 2002-2003

Awarded a University Research Fellowship by the Royal Society 10/2003

Appointed permanent member of staff at the University of Liverpool following 1/2005 the ‘Rising Star’ initiative

Appointed Reader in Chemistry and Physics 11/2005

Appointed Full Professor of Chemical Physics 07/2006 (jointly in the departments of Physics and Chemistry)

Awarded an extension of the University Research Fellowship by the Royal Society 10/2007

Appointed Director of the Stephenson Institute for Renewable Energy 10/2010

1.7 Research Interests

1. The study of atomic processes at the interface of fuel cells. A project application for a joint project between China and the EU has been submitted in February 2011, in Liverpool it involves collaborations with Richard Nichols, Chris Lucas, and Gilberto Teobaldi. In Europe it involves a collaboration with the Munich University of Technology, Imperial College London and the University of Bordeaux. In China it involves a collaboration with Tsinghua University. The aim of this project is to create a new research agenda related to energy research and in particular batteries and fuel cells from a theoretical point of view.

2. The study of grain boundaries in semiconductors important for photovoltaics. This work is currently undertaken by a PhD student (Piotr Czekala), it is aimed at creating the necessary basis for future collaborations between experiment and theory in particular with the group of Ken Durose at the Stephenson Institute.

3. Reaction processes on metal and semiconductor surfaces. This work is funded by CIFAR and funds a PhD student (Chiara Panosetti), the research program is developed in collaboration with the group of John Polanyi in Toronto. In 2011 this collaboration has so far led to two high-impact publications (one Nature Chemistry and one Proceedings of the National Academy of Sciences), two more publications are under submission.

4. Quite by chance after more than fifteen years of research I seem to have found a model of extended electrons which removes most of the obstacles to an understanding in atomic scale physics and which is very promising for high-efficient electronic structure simulations of large scale systems. Given its fundamental nature it has been published in the Foundations of Physics (2011), but a follow up paper, which demonstrates its validity via an analysis of high-resolution STM experiments has been submitted and is under review by the Proceedings of the Royal Society. This work is very high risk, but if it succeeds the potential implications are quite large. The first paper, published only in April 2011, has led to two invitations to international conferences (Italy, July 2011 and Austria, November 2011).

Current Research Group

PhD Students (Principle Supervisor on all of the following)

Alejandro Sanchez EPSRC Piotr Czekala EPSRC Chiara Panosetti CIFAR

Previous PhDs and PDRAs

Dr. Krisztian Palotas EC STREP RADSAS until 10/07, now a Hungarian Research Fellow in Budapest Dr. Mario Gattobigio Marie Curie TANSAS until 09/07, now Maitre de Conference at Nice Dr. Linda Zotti now PostDoc at Universita Autonoma de Madrid Dr. Serge Ayissi now PostDoc at the University of Toronto Dr. Gilberto Teobaldi now PostDoc at UCL London

Academic Research Grants since 2003

PRINCIPAL INVESTIGATOR GRANTS ARE INDICATED BY SHADING

Funding Funding Research Other Date Date Total Ref. No./ Body Title Grant Start End Award WORK ORDER or Name Holders Value reference

RGCCXE 265k Royal Society Tunneling spectroscopy 01/10/03 01/10/08

Professor N V Organic fluorine 99k RGCCYL EPSRC Richardson 01/10/04 01/10/07 compounds

Rational design of molecular Dr R. Fasel, 127k RGCCYN EC STREP interfaces Professor K. 01/10/04 01/10/07 Mullen

Dynamic processes during RGCCYO 111k EPSRC adsorption of chiral 01/10/04 1/10/07 molecules

Inelastic tunneling 156k RGCCRG EPSRC 01/10/05 01/10/08 spectroscopy

459k (one Transport through RGCCS7 EPSRC 01/10/07 30/09/10 PDRA, one heterogeneous interfaces PhD)

Fully predictive SPM tips in CCR10685 Royal Society scanning probe 01/10/08 30/09/11 330k experiments

TOTAL FUNDING to date (from 2003) £1553k ACTIVE FUNDING at 06/ 2011 £330k

1.8 Conferences and lectures

Invited Speaker (since 1999):

1999 Department of Solid State Physics, University of Graz, June 18 1999 Institute de la Recherche de la Catalyse, CNRS, Lyon, July 7 2000 Steacie Institute for Molecular Sciences, National Research Council, Canada, February 15 2000 Satellite meeting of the 2nd Taylor Conference, Liverpool, September 1 2000 Department of Physics, McGill University, September 28 2000 Surface Science Research Centre, University of Liverpool, November 15 2000 Frontiers of Fundamental Physics IV, Hyderabad, December 9-13 2001 European Graduate School of Condensed Matter, Prague, June 8-16 2001 Center for Computational Materials Science, Vienna, June 7 2001 Workshop on chiral surfaces, Liverpool, July 10-11 2001 Department of Physics, McGill University August 9 2001 CCCP Code Training Workshop, Daresbury, November 15 2002 STM theory workshop, CNRS Lyon, May 27 – 29 2002 Surface Science summer school, University of Warwick, August 8-12 2002 7th Symposium on Surface Science, Castle Trest, Czechia, September 2-6 2002 Seminar at the Universita Autonoma de Madrid, September 25 2002 Seminar at the Donostia International Physics Center, October 12 2003 APS March meeting, Austin, Texas, March 3-7 2003 International Conference on Composites and Nano-Engineering, New Orleans July 20-26 2003 International Gordon Conference on Surface Dynamics, New Hampshire August 8-12 2004 March Meeting of the American Physical Society 2004, Montreal March 22-26 2004 Satellite Meeting to the APS March Meeting 2004, Montreal March 19-20 2004 Canadian Institute for Aadvanced Research, Nanoelectronics meeting 2004, Mont Tremblant, March 26-28 2004 Department of Synchrotron Radiation Research, Institute of Physics, University of Lund, Sweden, April 27

2004 CMMP 2004, University of Warwick, April 4-7 2004 Department of Physics, Chalmers University, Gothenburg, Sweden, April 29 2004 Institut de Ciencia de Materials de Barcelona, Barcelona, Spain, May 14 2004 Department of Physics, Universita Autonoma de Madrid, Spain, May 23 2004 Donostia International Physics Center, San Sebastian, Spain, May 27 2004 Fritz Haber Institut Berlin, Germany, June 24 2004 Institut fur Allgemeine Physik, Technische Universitat Wien, July 8 2004 Institut fur Physik, Universitat Augsburg, November 4 2004 Institut fur Festkorperphysik, LMU Munchen, November 5 2005 MPI fur Mikrostrukturforschung Halle, February 11 2005 Department of Physics and Astronomy, University College London, February 26 2005 UK Scanning Probe Microscopy Conference, Warwick, March 21-22 2005 EIPAM, European network conference, Milton-Keynes, April 19 2005 Ludwig Maximilian Universitat Munchen, June 22 2005 Connex Workshop on magnetic interfaces, Vienna, October 5-7 2005 Science Matters, October 12, invited lecture for students at the King’s School, Chester 2005 CHEXTAN, Marie-Curie Network meeting, Liverpool, December 15 2006 Institute of Physics, Chinese Academy of Sciences, Beijing, January 19 2006 Department of Physics, University of Bristol, February 1 2006 Department of Chemistry, University of Toronto, February 9 2006 Department of Physics, McGill University Montreal, February 13 2006 International Conference on Nanoscience and Technology, Basel, July 26-31 2006 Meeting of the Canadian Institute for Advanced Studies in Banff, Canada, Nov. 8-11 2007 Meeting of the German Physical Society, Regensburg, March 26-31 2007 IVC17/ICN+T 2007 meeting in Stockholm, July 1-6 2007 National Conference on Nanoscale Science, Beijing, July 10-25 2007 Department of Physics, Tulane University, New Orleans, November 12 2007 Department of Physics, University of Cardiff, November 28 2008 Inaugural Workshop, Materials Simulation Lab, LCN London, March 31 to April 3 2008 Technical University of Denmark, Lyngby, Theoretical Physics, Seminar, April 4 2008 Frontiers in Nanoscience, meeting of the MPI Stuttgart at Schloss Ringberg, April 20-23 2008 11th Symposium on Surface Physics, Prague, June30 – July 4 2008 European Physical Society Meeting, Rome, August 25-29 2009 CNRS Strasbourg, Seminar, January 16 2009 University of Bielefeld, Seminar, January 20 2009 Symposium “Trends in Nanoscience” at Irsee, February 28 – March 4 2009 University of Reading, Seminar, June 2 2009 Muenster University, Seminar, June 9 2009 International Workshop on Nanoscale Physics and Devices, Beijing-Chengdu, July 1-4 2009 Symposium on Nanoscience, Ascona, Sept 20 – 25 2009 University of Hamburg, Dec. 12

2010 International Workshop on Nanodevices, Beijing, July 1-3 2010 International Field Electron Microscopy Conference, Sydney, July 4-7 2010 International Vacuum Congress, Beiking, August 20 – 25 2010 University of Ilmenau, Germany, Seminar, November 28 2011 Daresbury Laboratories, Seminar, May 4 2011 University of Aarhus, iNano-Lecture, May 27 2011 Magnetic nanoparticles workshop, Uppsala, June 1-3 2011 Frontiers in Interface Science, FHI-Berlin, June 29 – July 1 2011 Quantum Mechanics without Observers, Sesto, Italy, July 23 – July 30 2011 Emerging Quantum Mechanics, Vienna, Austria, November 10-12

1.9 Other Information

Referee for

Nature Materials, Nature Physics, Physical Review Letters, Chemical Physics Letters, Journal of Physics: Condensed Matter, Physical Review B, Journal of Physical Chemistry, Journal of the American Physical Society, Surface Science.

Member of the international advisory board of the Institute of Physics, Chinese Academy of Sciences (2007) Member of the editorial board of Journal of Physics: Condensed Matter (2005-2008)

Co-chair (together with Karina Morgenstern) of the STM working group of the ESF COST project Electron Induced Chemical Lithography (since 2007)

Conference Chair

European Conference on Surface Science (ECOSS) 2008

Visiting Scientist/Professor:

2002 September/October, Donostia International Physics Center, San Sebastian, Spain 2003 May, Donostia International Physics Center, San Sebastian, Spain 2004 May, Donostia International Physics Center, San Sebastian, Spain 2005 May, Donostia International Physics Center, San Sebastian, Spain 2006 April-June, MAXLAB and University of Lund, Sweden 2008 January, Chinese Academy of Sciences, Beijing 2010 Visiting Professorship, Chinese Academy of Sciences, Beijing

International PhD examinations:

2004 April, Chalmers University, Gothenburg, Sweden 2005 February, Helsinki University of Technology, Finland 2005 April, University of Vaxjo, Sweden

Research collaborations:

(i) Professor John Polanyi, Department of Chemistry, University of Toronto (ii) Professor Peter Grutter, Department of Physics, McGill University (iii) Professor Robert Wolkow, University of Alberta, Edmonton (iv) Professor Geoffrey Reimers, Department of Chemistry, University of Sydney (v) Professor Giovanni Comelli, Department of Physics, University of Trieste (vi) Professor Harald Brune, EPFL Lausanne (vii) Professor Franz Giessibl, Department of Physics, University of Augsburg

(viii) Professor Richard Berndt, Department of Physics, University of Kiel (ix) Dr. Edvin Lundgren, MAXLAB and Department of Physics, University of Lund (x) Professor Pedro Echenique, Donostia International Physics Center, San Sebastian (xi) Professor Rodolfo Miranda, Deparment of Solid State Physics, Autonomous University of Madrid (xii) Professor Andrew Fisher, Department of Physics and Astronomy, UCL London (xiii) Professor Neville Richardson, School of Chemistry, University of St. Andrews (xiv) Professor Honjung Gao, Chinese Academy of Sciences, Beijing (xv) Dr. Roman Fasel, EMPA, Duebendorf, Switzerland (xvi) Prof. Klaus Muellen, MPI Mainz, Germany

Patents:

Method of Linear Patterning at Surfaces, provisional patent application February 2008, US Patent Office Washington (together with John Polanyi, Krishnan Harikumar and Iain McNab)

SECTION 2- PUBLICATIONS 1998 -

Contributions to Books

4. G. Teobaldi, H. Lin and Werner A Hofer. (2010) Theory of Scanning Tunneling Microscopy and Applications in Catalysis. In: M. Bowker and P.R. Davies ed(s). Scanning Tunneling Microscopy in Surface Science. Weinheim, WILEY-VCH Verlag GmbH & Co.

3. Single molecules at surfaces, P. Grutter, W.A. Hofer and F. Rosei (eds.), Imperial College Press, London, W.A. Hofer, Perturbation methods in scanning tunnelling microscopy (2006)

2. Frontiers of Fundamental Physics, B.G. Sidharth and M.V. Altaisky (ed), Kluwer Academic/Plenum Publishers, NY (2001) pp.329-345, W. A. Hofer, Masses and Fields in Microdynamics: A possible Foundation for Dynamic Gravity

1. Photon: Old Problems in Light of New Ideas, V. Dvoeglazov (ed.), Nova Science, Huntington, NY (2000) pp. 297-315: W. A. Hofer, A realist view of the electron: recent advances and unsolved problems

Books in print

2. Werner Hofer and Adam Foster, Scanning Probe Microscopes: Atomic Scale Engineering by Forces and Currents, Springer Scientific (2006), now in paperback edition

1. Peter Grutter, Werner Hofer, and Federico Rosei (eds), Single organic molecules at surfaces, Imperial College Press (2006)

Research papers The h-index of my publications is currently 22, due to nearly 1700 individual citations (about 280 in

2010 alone), the hindex/year is about 2. The list of 85 publications contains at present 36 high-impact papers: 1 Reviews of Modern Physics, 1 Nature, 1 Nature Nanotechnology, 2 Nature Chemistry, 2 Proceedings of the National Academy of Sciences, 1 Angewandte Chemie International Edition, 14 Physical Review Letters, 7 Journal of the American Chemical Society, as well as 7 Chemical Physics Letters.

85. Krisztián Palotás, Werner A. Hofer, and László Szunyogh, Phys. Rev. B 83, 214410, Theoretical study of the role of the tip in enhancing the sensitivity of differential conductance tunneling spectroscopy on magnetic surfaces

84. Piotr T. Czekala, Haiping Lin, Werner A. Hofer, Andris Gulans, Surf. Sci., in press, Acetylene adsorption on silicon (100)-(4 × 2) revisited

83. KR Harikumar, JC Polanyi, A Zabet-Khosousi, P Czekala, H Lin, WA Hofer, Nature Chemistry 3, 400-408, Directed long-range molecular migration energized by surface reaction See also: JW Lyding, Nature Chemistry 3, 341-342, SURFACE CHEMISTRY Molecular cart- wheeling

82. Werner A Hofer, Foundations of Physics 41, 754-791, Unconventional Approach to Orbital-Free Density Functional Theory Derived from a Model of Extended Electrons

81. ZH Cheng ZH, SX Du, N Jiang, YY Zhang, W Guo, WA Hofer, HJ Gao, Surf. Sci. 605, 415-418, High resolution scanning-tunneling-microscopy imaging of individual molecular orbitals by eliminating the effect of surface charge

80. KR Harikumar, IR Mcnab, JC Polanyi, A Zabet-Khosousi, WA Hofer, Proc. Nat. Acad. Sci. 108, 950-955, Imprinting self-assembled patterns of lines at a semiconductor surface, using heat, light, or electrons

79. HP Lin, JMC Rauba, KS Thygesen, KW Jacobsen, MY Simmons, WA Hofer, Frontiers of Physics in China 5, 369-375, First-principles modelling of scanning tunneling microscopy using non-equilibrium Green's functions

78. JC Lian, ZH Cheng, YH Jiang, YY Zhang, LW Liu, W Ji, WD Xiao, SX Du, WA Hofer, HJ Gao,

Phys. Rev. B. 81, 195411, Mapping antibonding electron states of a Pb adatom on Pb(111)

77. BW Heinrich, C Iacovita, T Brumme, DJ Choi, L Limot, MV Rastei, WA Hofer, J Kortus, JP Bucher, J. Phys. Chem. Lett. 1, 1517-1523, Direct Observation of the Tunneling Channels of a Chemisorbed Molecule

76. G. H. Enevoldsen, H. P. Pinto, A. S. Foster, M. C. Jensen, W. A. Hofer, B. Hammer, J. V. Lauritsen, F. Besenbacher, Phys. Rev. Lett.104, 119604, Comment on ''Imaging of the Hydrogen Subsurface Site in Rutile TiO2'', Reply

75. W. Ji, L. A. Zotti, H.-J. Gao, W. A. Hofer, Phys. Rev. Lett.104, 099703, Comment on ''Chemical versus van der Waals Interaction: The Role of the Heteroatom in the Flat Absorption of Aromatic Molecules C6H6, C5NH5, and C4N2H4 on the Cu(110) Surface''

74. Anthoula C. Papageorgiou, Nikolaos S. Beglitis, Chi L. Pang, Gilberto Teobaldi, Gregory Cabailh, Qiao Chen, Andrew J. Fisher, Werner A. Hofer, and Geoff Thornton, Proc. Nat. Acad. Sci.107, 2391-2396, Electron traps and their effect on the surface chemistry of TiO2(110)

74. D. X. Shi, W. Ji, B. Yang, H. Cun, S. X. Du, L. F.. Chi, H. Fuchs, W. A. Hofer, H. H. Gao J. Phys. Chem. C 41, 17643-17647, Alternating the Crystalline Structural Transition of Coronene Molecular Overlayers on Ag(110) through Temperature Increase

73. Y. F. Wang, X. Ge, C. Manzano, J. Kroeger, R. Berndt, W. A. Hofer, H. Tang, J. Cerda, J. Am. Chem. Soc. 131, 10400, Supramolecular Patterns Controlled by Electron Interference and Direct Intermolecular Interaction

72. Krishnan R Harikumar, Lydie Leung, Iain R McNab, John C Polanyi ,Haiping Lin and Werner A Hofer, Nature Chemistry 1, 716-721, Cooperative Molecular Dynamics in Surface-Reaction

71. W. Guo, S. X. Du, Y. Y. Zhang, W. A. Hofer, C. Seidel, L. F. Chi, H. Fuchs, H.-J. Gao, Surf. Sci. 603, 2815-2819, Electrostatic field effect on molecular structures at metal surfaces

70. Gilberto Teobaldi, Nikolaos S. Beglitis, Andrew J. Fisher, Francesco Zerbetto, Werner A. Hofer, J. Phys. :Cond. Mat. 21, 195301, Hydroxyl vacancies in single-walled aluminogermanate nanotubes

69. G H Enevoldsen, H P Pinto, A S Foster AS, M C R Jensen, A Kuhnle, M Reichling, W A Hofer, J

V Lauritsen, F Besenbacher, Phys. Rev. Lett. 102, 136103, Imaging of the hydrogen subsurface site in rutile TiO2

68. Yongfeng Wang, Joerg Kroeger, Richard Berndt and Werner A. Hofer, J. Am. Chem. Soc. 131, 3639, Pushing and Pulling a Sn Ion through an Adsorbed Phthalocyanine Molecule

67. Yongfeng Wang, Jörg Kröger, Richard Berndt, Werner Hofer, Angew. Chem. Intl. Ed. 48, 1261, Structural and Electronic Properties of Ultrathin Tin-Phthalocyanine Films on Ag(111) at the Single-Molecule Level

66. J Bolinsson, L Ouattara, W A Hofer, N Skold, E Lundgren, J Gustafsson, A Mikkelsen, J. Phys.: Cond. Mat. 21, 055404, Direct observation of atomic scale surface relaxation in ortho twin structures in GaAs by XSTM

65. H Williams, W A Hofer, E Cavar, A Mikkelsen, E Lundgren, Phys. Rev. B 78, 205309, Density functional theory with hybrid functionals applied to defects in GaAs surfaces: Effect of doping

64. L Gao, Q Liu, Y Y Zhang, N Jiang, H G Zhang, Z H Cheng, W F Qiu, S X Du, Y Q Liu YQ, W A Hofer, H J Gao, Phys. Rev Lett. 101, 197209, Constructing an Array of Anchored Single- Molecule Rotors on Gold Surfaces The paper created a very high international response, see for example: APS Physics: http://physics.aps.org/synopsis-for/10.1103/PhysRevLett.101.197209 Nature China: http://www.nature.com/nchina/2008/081203/full/nchina.2008.284.html Chemistry World: http://www.rsc.org/chemistryworld/Issues/2009/January/MakingMolecularWindmills.asp Nature Asia: http://www.natureasia.com/asia-materials/highlight.php?id=364

63. X Torrelles, G Cabailh, R Lindsay, O Bikondoa, J Roy, J Zegenhagen, G Teobaldi, W A Hofer, G Thornton, Phys. Rev. Lett. 101, 185501, Geometric Structure of TiO2(011)(2x1)

62. G H Enevoldsen, H P Pinto, A S Foster AS, M C R Jensen, A Kuhnle, M Reichling, W A Hofer, J V Lauritsen, F Besenbacher, Phys. Rev. B 78, 045416, Detailed scanning probe microscopy tip models determined from simultaneous atom-resolved AFM and STM studies of the TiO2(110) surface

61. K. R. Harikumar, Tingbin Lim, Iain R McNab, John C. Polanyi, Linda Zotti, Serge Ayissi, Werner

A. Hofer, Nature Nanotechnology 3, 222-228 (regular article), Dipole-Directed Assembly of Lines of 1,5-Dicholoropentane by Displacement of Surface Charge in Si(100) - The paper was reviewed in the same issue of Nature Nanotechnology by Stacey Brent, the review was entitled: Silicon falls into line (Nature Nanotechnology 3, 185)

60. W A Hofer, G Teobaldi, N Lorente, Nanotechnology 19, 305701, Creating pseudo Kondo- resonances by field-induced diffusion of atomic hydrogen

59. W A Hofer, K Palotas, S. Rusponi, H Cren, H Brune, Phys. Rev. Lett. 100, 026806, Role of Hydrogen in Giant Spin Polarization Observed on Magnetic Nanostructures

58. L.A.Zotti, G.Teobaldi, K.Palotás, W. Ji, H-J. Gao, W. A. Hofer, J. Comp. Chem. 29, 1589, Adsorption of benzene, fluorobenzene and meta-di-fluorobenzene on Cu(110): a computational study

57. G. Teobaldi, M. Penalba, A. Arnau, N. Lorente, W. A. Hofer, Phys. Rev. B 76, 235407, Including the probe-tip in theoretical models of inelastic scanning tunneling spectroscopy: CO on Cu(100)

56. K. Palotas and W. A. Hofer, New J. Phys. 9,393, Simulating adsorption of complex molecules using the linearity between interaction energies and tunnelling currents: the case of hexabenzocoronene on a Ag/Pt dislocation network

55. L. Gao, W. Ji, Y. B. Hu, Z. H. Cheng, Z. T. Deng, Q. Liu, N. Jiang, X. Lin, W. Guo, S. X. Du, W. A. Hofer, X. C. Xie, and H.-J. Gao, Phys. Rev. Lett. 99, 106402, Site-specific Kondo effect at ambient temperatures in iron based molecules

54. L A Zotti, G Teobaldi, W A Hofer, W Auwarter, A Weber-Bargioni, J V Barth, Surf. Sci. 601, 2409, Ab-initio calculations and STM observations on tetrapyridyl and Fe(II)-tetrapyridyl- porphyrin molecules on Ag(111)

53. S N Patole, C J Baddeley, D O'Hagan, N V Richardson, F Zerbetto, L A Zotti, G Teobaldi, W A Hofer, J. of Chem. Phys. 127, 024702, Self-assembly of semifluorinated n-alkanethiols on {111}- oriented Au investigated with scanning tunneling microscopy experiment and theory

52. G Teobaldi, W A Hofer, O Bikondoa, CL Pang CL, G Cabailh, G Thornton G, Chem. Phys. Lett. 437, 73

51. Pascal Ruffieux, Krisztián Palotás, Oliver Gröning, Daniel Wasserfallen, Klaus Müllen, Werner A. Hofer, Pierangelo Gröning, and Roman Fasel, J. Am. Chem. Soc. 129, 5007, Site- and Orientation-Selective Anchoring of a Prototypical Molecular Building Block

50. N. Néel,1 J. Kröger, L. Limot, K. Palotas, W. A. Hofer, and R. Berndt, Phys. Rev. Lett. 98, 016801, Conductance and Kondo Effect in a Controlled Single-Atom Contact

49. S. Dobrin, KR Harikumar, TB Lim, L Leung, IR McNab, JC Polanyi, PA Sloan, Z Waqar, J Yang, S Ayissi, WA Hofer, Nanotechnology 18, 044012, Maskless nanopatterning and formation of nanosocorrals and switches for haloalkenes at Si(111)-7x7

48. Werner A Hofer, Krisztian Palotas, Gilberto Teobaldi, Janusz Sadowski, Anders Mikkelsen, and Edvin Lundgren , Nanotechnology 18, 044006, Detection of spin-states in Mn-doped gallium arsenide films

47. Krishnan R. Harikumar, John C. Polanyi, Peter A. Sloan, Serge Ayissi, and Werner A. Hofer, J. Am. Chem. Soc. 128, 16791, Electronic Switching of Silicon Atoms by Molecular Field Effects

- the paper was highlighted in Nature Nanotechnology, Research Highlights, published online on 5 January 2007, http://www.nature.com/nnano/reshigh/2007/0107/full/nnano.2007.1.html, the article written by Samia Mantoura was entitled Molecular switches: Shape shifting.

45. Wende Xiao, Pascal Ruffieux, Kamel Aït-Mansour, Oliver Gröning, Krisztian Palotas, Werner A. Hofer, Pierangelo Gröning, and Roman Fasel, J. Phys. Chem. B 110, 21349, Formation of a Regular Fullerene Nanochain Lattice

- the paper was highlighted in Nature Nanotechnology, Research Highlights, published online on 27 October 2006, http://www.nature.com/nnano/reshigh/2006/1006/full/nnano.2006.126.html, the article written by Ai Lin Chun was entitled Surface patterning: Fullerenes line up

44. D. X. Shi, W. Ji, X. Lin, X. B. He, J. C. Lian, L. Gao, J. M. Cai, H. Lin, S. X. Du, F. Lin, C. Seidel, L. F. Chi, W. A. Hofer, H. Fuchs, and H.-J. Gao, Phys. Rev. Lett. 96, 226101, Role of Lateral Alkyl Chains in Modulation of Molecular Structures on Metal Surfaces

43. Z.T. Deng, H. Lin, W. Ji, L. Gao, X. Lin, Z.H. Cheng, X.B. He, J.L. Lu, D.X. Shi, W. A. Hofer, and H.-J. Gao, Phys. Rev. Lett. 96, 156102, Selective Analysis of Molecular States by Functionalized

Tips: Scanning Tunneling Microscopy of Perylene on Ag(110)

42. W. A. Hofer, J. Sadowski, A. Mikkelsen and E. Lundgren, Nanotechnology, Detection of spin- states in ultrathin Mn-doped gallium arsenide films, in press

41. L. Zotti, W. A. Hofer and F. Giessibl, Chem. Phys. Lett. 420, 177, Electron scattering in atomic force microscopy experiments

40. S. Dobrin, R. V. Jones, K. R. Harikumar, N. Li, I. R. McNab, J. C. Polanyi, P. A. Sloan, Z. Wagar, J. Yang, S. Ayissi, and W. A. Hofer, Surf. Sci. Lett. 600, L43, Self-assembled corrals on a semiconductor surface

- the paper was highlighted in Chemical & Engineering News 84, 5 on February 27, 2006 http://pubs.acs.org/cen/news/84/i09/8409notw1.html, the article written by Mitch Jacobi was entitled Self-assembling Nano Corrals

39. D. Wasserfallen, M. Kastler, W. Pisula, W. A. Hofer, Y. Fogel, Z. Wanga and K. Müllen, J. Am. Chem. Soc. 128,1334, Suppressing Aggregation in a Large Polycyclic Aromatic Hydrocarbon

38. Paul G. Piva, Gino A. DiLabio, Jason L. Pitters, Janik Zikovsky, Moh’d Rezeq, Stanislav Dogel, Werner A. Hofer, & Robert A. Wolkow, Nature 335, 658-661, Field regulation of single-molecule conductivity by a charged surface atom

- The paper was reviewed in the same journal by Mark Ratner, Nature 335, 675, the review was entitled Charged with manipulation - It was also reviewed in several national and international newspapers and on more than ten science/technology websites

37. C. Africh, G. Comelli, H. Lin, and W. A. Hofer, J. Am. Chem. Soc. 127, 11454-11459, Water production reaction on Rh(110)

36. K. Palotas and W. A. Hofer, J. Phys: Condens. Mat. 17, 2705-2712, Multiple scattering in a vacuum barrier from real-space wavefunctions

35. L. Limot, J. Kroger, R. Berndt, A. Garcia-Lekue, and W. A. Hofer, Phys. Rev. Lett. 94, 126102.1- 4, Atom Transfer and Single-Adatom Contacts

34. C. Corriol, F. Calleja, A. Arnau, J. J. Hinarejos, A. L. Vazquez de Parga, W. A. Hofer, and R.

Miranda, Chem. Phys. Lett. 405, 131-135, Role of surface geometry and electronic structure in STM images of O(2x1)/Ru(0001)

33. Y. Sun, H. Mortensen, S. Schar, A.-S. Lucier, Y. Miyahara, P. Grutter and W. A. Hofer, Phys. Rev. B 71, 193407.1-4, From Tunnelling to Point Contact: Correlation between Interaction Forces and Current

- The paper has also been highlighted in the Virtual Journal of Nanoscale Science & Technology 11, June 6

32. W. A. Hofer and A. Garcia-Lekue, Phys. Rev. B 71, 085401.1-8, Differential scanning tunneling spectroscopy: simulating surface states on noble metal surfaces

31. W. A. Hofer, A. Garcia-Lekue, and H. Brune, Chem. Phys. Lett. 397,354-359, The role of surface elasticity in giant corrugations observed by scanning tunneling microscopes

30. A. Bilic, J. R. Reimers, W. A. Hofer, and N. S. Hush, Chem. Phys. Lett. 385, 341-344, Adsorption sites of maleic anhydride on Si(100) revisited: inter- versus intra- row attachment.

29. F. Calleja, A. Arnau, J.J. Hinarejos, A.L. Vazquez de Parga, W. A. Hofer, P.M. Echenique; and R.Miranda, Phys. Rev. Lett. 92, 206101, Contrast reversal and changing shapes of atomic adsorbates in scanning tunnelling microscopy

28. W.A. Hofer, V. Humblot, and R. Raval, J. Surf. Sci. 554, 141-149, Inducing surface chirality by polar charge distributions of molecular adsorbents: R,R-Tartaric acid on Ni(110)

27. F. Y. Naumkin, D. Rogers, J. C. Polanyi, W. A. Hofer, and A. J. Fisher, Surf. Sci. 547, 324–334, Electron-induced attachment of chlorinated benzenes to Si(1 0 0)2 x 1

26. W. A. Hofer, A.S. Foster, and A. L. Shluger, Rev. Mod. Phys. 75, 1287-1331, Theories of scanning probe microscopes at the atomic scale (invited review)

25. W.A. Hofer, Progr. Surf. Sci. 71, 147-183, Challenges and Errors: Simulation of High-Resolution

Images in Scanning Tunneling Microscopy (invited review)

24. W.A. Hofer and A.J. Fisher, JMMM 267, 139-151, Simulation of spin-resolved scanning tunneling microscopy: influence of the magnetization of surface and tip

23. W.A. Hofer and A.J. Fisher, Phys. Rev. Lett. 91, 036803, The signature of a chemical bond in the conductance between two metal surfaces

22. W. A. Hofer, Materials Today, October 2002, Review feature, p.24-31, Unraveling electron mysteries (invited review)

21. W.A. Hofer, A.J. Fisher, G.P. Lopinski, and R. A. Wolkow, Chem. Phys. Lett. 365, 129-134 Belectronic structure and STM images of self-assembled styrene lines on Si(100) surfaces

20. W.A. Hofer, A.J. Fisher, G.P. Lopinski, and R. A. Wolkow, Chem. Phys. Lett. 365, 129-134 Belectronic structure and STM images of self-assembled styrene lines on Si(100) surfaces

19. W.A. Hofer and A.J. Fisher, Surf. Sci. Lett. 515, L487-L492, Determining surface magnetization and local magnetic moments with atomic scale resolution

18. R.J. Nichols, T. Nouar, C.A. Lucas, W. Haiss and W.A. Hofer, Surf. Sci. 513, 263-271, Surface relaxations and surface stress of Au(111) electrodes

17. W.A. Hofer, A.J. Fisher, T. Bitzer, T. Rada, and N.V. Richardson, Chem. Phys. Lett. 355, 347- 354, Tuning in on single molecular states: adsorption sites and STM images of maleic anhydride on Si(100)

16. W. A. Hofer and A. J. Fisher, Surf. Sci. Lett. 498, L65-L70, Tip effects in scanning tunneling microscopy of atomic-scale magnetic structures

15. V. Humblot, S. Haq, C. Muryn, W.A. Hofer, and R. Raval, , J. Am. Chem. Soc. 124, 503-510, From local adsorptions to chiral surfaces: R,R-Tartaric acid on Ni(110)

14. W.A. Hofer, A.J. Fisher, R.A. Wolkow, and P. Grütter, Phys. Rev. Lett. 87, 236104-07: Surface

relaxations, current enhancements, and absolute distances in high resolution STM

- The paper has been chosen for the Physical Review Focus Vol.8 (29), http://focus.aps.org/story/v8/st29, the article by Geoff Brumfiel was entitled STMs make Mountains out of Molehills. - The paper has also been reviewed in Bild der Wissenschaft (online) on December 5, the article by Stefan Maier was entitled: STMs distort the image - It featured also in Materials Today in February 2002 under the heading: How precise is your STM?

13. A.S. Foster, W.A. Hofer, and A.L Shluger, Current Opinion in Solid State & Material Science 5, 427-434 (2001), Quantitative modelling in Scanning Probe Microscopy (invited review)

12. W. A. Hofer, J. Redinger, and R. Podloucky, Phys. Rev. B 64, 125108-14, Modeling STM tips by single absorbed atoms on W(100) films: 3d and 4d transition metal atoms

11. F. Maca, W.A. Hofer, and J. Redinger, Surf. Sci. 482-485, 844–849, Comparison between ab- initio simulations and STM images for Co/Pt(110) surfaces

10. W.A. Hofer, J. Redinger, A. Biedermann, and P. Varga, Surf.Sci. 482-485, 1113-1118, Quenching surface states with the tip: STM scans on Fe(100)0

9. W.A. Hofer, A.J. Fisher, G.P. Lopinski, and R.A. Wolkow, Surf. Sci.482 - 485, 1181-1185, Benzene on silicon: combining STM images with first principles studies

8. W.A. Hofer, A.J. Fisher, and R.A. Wolkow, Surf. Sci. 475, 83-88, Adsorption sites and STM images of C2H2 on Si(100): a first-principles study

7. W.A. Hofer, A.J. Fisher, G.P. Lopinski, and R.A. Wolkow, Phys. Rev. B 63, 085314-20, Adsorption of benzene on Si(100)-(2x1): adsorption energies and image analysis by ab initio methods

6. W. A. Hofer, J. Redinger, A. Biedermann, and P. Varga, Surf. Sci. 475, L795-L801, Limits of perturbation theory: First principles simulations of STM scans on Fe(100)

5. W. A. Hofer and J. Redinger, Surf. Sci. 447, 51 – 61, Scanning tunneling microscopy of binary alloys: first principles calculation of the current for PTX(100) surfaces

4. W. A. Hofer, J. Redinger, and P. Varga, Solid State Comm. 113, 245 – 250 Modeling STM tips by single absorbed atoms on W(100) films: 5d transition metal atoms

3. W. A. Hofer and J. Redinger, Phil. Mag. B 78, 519 – 524: Scanning tunneling microscopy of binary alloy surfaces: the role of different apex atoms

2. W. A. Hofer, Physica A 256, 178 – 196: Internal energy of electrons and photons: the concept of extended particles revisited

1. W. A. Hofer, G. Ritz, W. Hebenstreit, M. Schmid, P. Varga, J. Redinger and R. Podloucky, Surf. Sci. Lett. 405, L514-L519: Chemical resolution on PtNi and PtRh(100) surfaces: Is chemical contrast a result of local density of states?