Surface Science and the Atomic-Scale Origins of Friction: What Once Was Old Is New Again
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Monday Morning, November 10, 2014
Monday Morning, November 10, 2014 2D Materials Focus Topic 9:40am 2D+EM+NS+PS+SS+TF-MoM5 Growth of 2D MoS2 Films by Room: 310 - Session 2D+EM+NS+PS+SS+TF-MoM Magnetron Sputtering, Andrey Voevodin, Air Force Research Laboratory, C. Muratore, University of Dayton, J.J. Hu, Air Force Research 2D Materials Growth and Processing Laboratory/UDRI, B. Wang, M.A. Haque, Pennsylvania State University, J.E. Bultman, M.L. Jesperson, Air Force Research Laboratory/UDRI, P.J. Moderator: Thomas Greber, University of Zurich Shamberger, Texas A&M University, R. Stevenson, Air Force Research Laboratory, A. Waite, Air Force Research Laboratory/UTC, M.E. 8:20am 2D+EM+NS+PS+SS+TF-MoM1 Exploring the Flatlands: McConney, R. Smith, Air Force Research Laboratory Synthesis, Characterization and Engineering of Two-Dimensional Growth of two dimensional (2D) MoS2 and similar materials over large Materials, Jun Lou, Rice University INVITED areas is a critical pre-requisite for seamless integration of next-generation In this talk, we report the controlled vapor phase synthesis of MoS2 atomic van der Waals heterostructures into novel devices. Typical preparation layers and elucidate a fundamental mechanism for the nucleation, growth, approaches with chemical or mechanical exfoliation lack scalability and and grain boundary formation in its crystalline monolayers. The atomic uniformity over appreciable areas (>1 mm) and chemical vapor deposition structure and morphology of the grains and their boundaries in the processes require high substrate temperatures. We developed few-layer polycrystalline molybdenum disulfide atomic layers are examined and first- MoS2 growth under non-equilibrium magnetron sputtering conditions principles calculations are applied to investigate their energy landscape. -
Abstract Book
Monday Morning, October 22, 2018 high applied loads, we observe wear of oxygen groups from graphene oxide at temperatures between 50-400 °C and loads between 10-700 nN, and Tribology Focus Topic find an exponential increase in wear rate with applied load. For the case of Room 201A - Session TR+AS+NS+SS-MoM an electrically biased tip oxidizing pristine graphene, the oxidation rate somewhat paradoxically increases with applied load, despite previously Tribology Focus Session observed enhancement in wear rate with load. All of the above Moderator: Filippo Mangolini, University of Leeds, UK observations can be understood in the context of mechanically driven thermochemical reactions. The friction behavior depends on two 8:20am TR+AS+NS+SS-MoM-1 Structural Superlubricity: History, competing factors—aging of the sliding contact due to chemical bonding Breakthroughs, and Challenges, Mehmet Z. Baykara, University of between tip and substrate, and hopping of unbonded tip atoms between California, Merced INVITED graphene lattice sites. Atomic wear of graphene oxide is well described by The idea of structural superlubricity holds immense potential for the the tilted potential energy surface theory of mechanically driven chemistry, realization of nearly frictionless sliding in mechanical systems, with which predicts a non-linear reduction in the energy barrier with applied implications for fields as diverse as environmental conservation and space load. We further show that the tilted potential energy surface model also travel. The basic principle of structural superlubricity involves the well describes the enhancement of oxidation rate. The work presented proposition that friction should diminish at an interface formed by here creates a foundation for describing the mechanics of sliding contacts atomically-flat and molecularly-clean crystalline surfaces with different as chemical processes, and further paves the way towards quantitatively lattice parameters and/or incommensurate orientation. -
Wednesday Morning, November 12, 2014 Surface Science Cells
Wednesday Morning, November 12, 2014 Surface Science cells. We present a systematic study of the HCOOH decomposition reaction mechanism starting from first-principles and including reactivity Room: 312 - Session SS+AS-WeM experiments and microkinetic modeling. In particular, periodic self- consistent Density Functional Theory (DFT) calculations are performed to Atomistic Modeling of Surface Phenomena determine the stability of reactive intermediates and activation energy barriers of elementary steps. Pre-exponential factors are determined from Moderator: Carol Hirschmugl, University of Wisconsin vibrational frequency calculations. Mean-field microkinetic models are Milwaukee, Eddy Tysoe, University of Wisconsin- developed and calculated reaction rates and reaction orders are then Milwaukee compared with experimentally measured ones. These comparisons provide useful insights on the nature of the active site, most-abundant surface intermediates as a function of reaction conditions and feed composition. 8:00am SS+AS-WeM1 Oxidation of Cu Surfaces with Step-Edge Trends across metals on the fundamental atomic-scale level up to selectivity Defects: Insights from Reactive Force Field Simulation, Qing Zhu, W.A. trends will be discussed. Finally, we identify from first-principles alloy Saidi, J. Yang, University of Pittsburgh surfaces, which may possess better catalytic properties for selective Defects on metal surfaces can induce non-canonical oxidation channels that dehydrogenation of HCOOH than monometallic surfaces, thereby guiding may lead -
From Real World Catalysis to Surface Science and Back
FROM REAL WORLD CATALYSIS TO SURFACESCIENCE AND BACK: CAN NANOSCIENCEHELP TO BRIDGEmE GAP? H.-J. FREUND,G~ RUPPRECHTER,M. BAUMER, TH. RISSE, N. ERNST, J. LInUDA Fritz-Haber-Institutder Max-P/anck-Gesel/schaft Faradayweg4-6, D-14195 Ber/in, Germany Abstract We review the possibilities in using model s~tems to explore~eterogeneous catalytic reactions under ultrahigh-vacuumand in-situ conditions. We discuss metal nano particles deposited on thin oxide films allowing to study hydrogenation and dehydrogenationreactions, while applyinga variety of surfacesensitive techniques. A secondclass of systems,where homogeneouscatalysts were heterogenized,has been studiedunder in-situ conditionsusing ESR spectroscopy. Introduction One prominentexample where heterogeneous catalysis affects our daily life is pollution control via exhaustcatalysis in everybody'scar. Figure 1 shows a schematicdiagram with a typical exhaustcatalyst in its housing[1]. The catalystconsists of a monolithic backbonecovered internally with a wash coat made of mainly alumina but also ceria and zirconia, which itself is mesoporousand holds the small metal particles, often platinum or rhodium. An electronmicroscope allows us to take a close look at the morphology of the catalyst at the nanometerscale. In order to be active, the metal particles have to be of a few nanometerin diameterand also the support has to be treated in the right way. To a certainextent the preparationis an art, some call it even "black magic". A full understandingof the microscopic processesoccurring at the surface of the particles or at the interface betweenparticle and support, however, is unfortunatelylacking. We have to realize that catalysis in connectionwith pollution control -the specific example chosenhere -does only utilize a small fraction of the world market for solid catalysts. -
Surface Crystallography
Modern Methods in Heterogeneous Catalysis Research Surface crystallography Dirk Rosenthal Department of Inorganic Chemistry Fritz-Haber-Institut der MPG Faradayweg 4-6, DE 14195 Berlin Part of the lecture is taken from Wolfgang Rankes LEED-Script Literature: G. Ertl, J. Küppers, Low Energy Electrons and Surface Chemistry, VCH, Weinheim (1985). M. Henzler, W. Göpel, Oberflächenphysik des Festkörpers, Teubner, Stuttgart (1991). M.A. Van Hove, W.H. Weinberg, C.-M. Chan, Low-Energy Electron Diffraction, Experiment, Theory and Surface Structure Determination, Springer Series in Surface Sciences 6, G. Ertl, R. Gomer eds., Springer, Berlin (1986). M. Horn-von Hoegen, Zeitschrift für Kristallographie 214 (1999) 1-75. FHI-Berlin, 21.11..2008 Dirk Rosenthal, Dept. AC, Fritz Haber Institute der MPG, Faradayweg 4-6, 14195 Berlin, Germany Content 1. Bravais lattices 2. Structure examples: Overlayers 3. Method: LEED, low energy electron diffraction 4. LEED principle in one and two dimensions 5. Reciprocal lattice 6. Ewald sphere construction 7. LEED and symmetry: glide lines 8. Astonishing example 9. LEED and defects 10. Comparison with other methods 11. LEED I-V measurement 12. Reality – an example from heterogeneous catalysis Bravais lattices or International Tables for X-Ray Crystallography, N. F. M. Henry and K. Lonsdale, Eds. (The Kynoch Press, Birmingham, 1969) ,chap. 1. Bravais lattices Structure examples: Overlayers Overlayer structures Ertl/Küppers fig. 9.2, p.204 p(2x2) c(2x2) (√3x√3)R30° on square lattice on hex. lattice Superstructure nomenclature Wood: Simplest in most cases Matrix notation (Park and Madden) p or c(n×m)Rϑ° more general unit cell vector lengths m11 m12 b1 = m11 a1 + m12 a2 b1 = n a1 b2 = m a2 m21 m22 b2 = m21 a1 + m22 a2 rotation ϑ p=primitive, c=centered Wood (2×2) [ϑ=0 is omitted] (√3×√3)R30° Matrix 2 0 1 1 0 2 2 -1 Three possible arrangements yielding c(2x2) structures. -
Nanostructure of Biogenic Versus Abiogenic Calcium Carbonate Crystals
Nanostructure of biogenic versus abiogenic calcium carbonate crystals JAROSŁAW STOLARSKI and MACIEJ MAZUR Stolarski, J. and Mazur, M. 2005. Nanostructure of biogenic versus abiogenic calcium carbonate crystals. Acta Palae− ontologica Polonica 50 (4): 847–865. The mineral phase of the aragonite skeletal fibers of extant scleractinians (Favia, Goniastrea) examined with Atomic Force Microscope (AFM) consists entirely of grains ca. 50–100 nm in diameter separated from each other by spaces of a few nanometers. A similar pattern of nanograin arrangement was observed in basal calcite skeleton of extant calcareous sponges (Petrobiona) and aragonitic extant stylasterid coralla (Adelopora). Aragonite fibers of the fossil scleractinians: Neogene Paracyathus (Korytnica, Poland), Cretaceous Rennensismilia (Gosau, Austria), Trochocyathus (Black Hills, South Dakota, USA), Jurassic Isastraea (Ostromice, Poland), and unidentified Triassic tropiastraeid (Alpe di Specie, It− aly) are also nanogranular, though boundaries between individual grains occasionally are not well resolved. On the other hand, in diagenetically altered coralla (fibrous skeleton beside aragonite bears distinct calcite signals) of the Triassic cor− als from Alakir Cay, Turkey (Pachysolenia), a typical nanogranular pattern is not recognizable. Also aragonite crystals produced synthetically in sterile environment did not exhibit a nanogranular pattern. Unexpectedly, nanograins were rec− ognized in some crystals of sparry calcite regarded as abiotically precipitated. Our findings support the idea that nanogranular organization of calcium carbonate fibers is not, per se, evidence of their biogenic versus abiogenic origin or their aragonitic versus calcitic composition but rather, a feature of CaCO3 formed in an aqueous solution in the presence of organic molecules that control nanograin formation. Consistent orientation of crystalographic axes of polycrystalline skeletal fibers in extant or fossil coralla, suggests that nanograins are monocrystalline and crystallographically ordered (at least after deposition). -
Integration of Surface Science, Nanoscience, and Catalysis*
Pure Appl. Chem., Vol. 83, No. 1, pp. 243–252, 2011. doi:10.1351/PAC-CON-10-11-04 © 2010 IUPAC, Publication date (Web): 6 December 2010 Integration of surface science, nanoscience, and catalysis* Cun Wen, Yi Liu, and Franklin (Feng) Tao‡ Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556, USA Abstract: This article briefly reviews the development of surface science and its close rele- vance to nanoscience and heterogeneous catalysis. The focus of this article is to highlight the importance of nanoscale surface science for understanding heterogeneous catalysis perform- ing at solid–gas and solid–liquid interfaces. Surface science has built a foundation for the understanding of catalysis based on the studies of well-defined single-crystal catalysts in the past several decades. Studies of catalysis on well-defined nanoparticles (NPs) significantly promoted the understanding of catalytic mechanisms to an unprecedented level in the last decade. To understand reactions performed on catalytic active sites at nano or atomic scales and thus reach the goal of catalysis by design, studies of the surface of nanocatalysts are cru- cial. The challenges in such studies are discussed. Keywords: heterogeneous catalysis; interfaces; nanoparticles; nanoscience; surface science. INTRODUCTION Heterogeneous catalysis is in fact the foundation of industrial production [1–3]. More than one-third of the production processes in all industries involve heterogeneous catalysis in their production chains [4,5]. Particularly, it has been the core technology of the chemical industry, oil refineries, conversion of sustainable energy sources, and environmental remediation for several decades. The application of heterogeneous catalysis to industrial production was realized without under- standing of catalytic mechanisms at the microscopic level several decades ago. -
The Contribution of Surface Analysis and Surface Science to Technology*
Aust. J. Phys., 1982,35,769-75 The Contribution of Surface Analysis and Surface Science to Technology* C. J. Powell Surface Science Division, National Bureau of Standards, Washington, DC 20234, U.S.A. Abstract Surface science is a rapidly growing field offering many scientific and technological challenges. New experimental and theoretical tools have been developed which can be used to probe, at a fundamental atomic and molecular level, the physics and chemistry of complex processes at solid surfaces. Surface characterization, particularly surface analysis, is now an integral part of many technologies and industries (e.g., catalysis, coatings, corrosion, semiconductor devices, computer, automobile and communications) for many different applications (e.g., failure analysis, quality control, process and device development). Characterization of surface properties and processes is similarly important in many areas of public concern (e.g., energy and environment). The concepts apd techniques found useful for surface characterization are currently being extended to the character ization of solid-solid, solid-liquid and solid-gas interfaces. It is therefore expected that there will be significant developments in interface science and additional opportunities for technological applications in the coming decade. 1. Introduction Over the past two decades there has been considerable growth in surface science and in the application of surface-characterization methods, particularly surface analysis, to a wide range of problems of technological interest (Powell 1978). This growth is evident in the large number of local, national and international meetings sponsored by major professional societies and many other groups; the growth is also evident in journal and book publications. The purpose of this paper is to summarize key features of recent developments and to point out the impact of surface science and surface analysis in technological developments and problems. -
Decline of Giant Impacts on Mars by 4.48 Billion Years Ago and an Early Opportunity for Habitability
ARTICLES https://doi.org/10.1038/s41561-019-0380-0 Decline of giant impacts on Mars by 4.48 billion years ago and an early opportunity for habitability D. E. Moser 1*, G. A. Arcuri1, D. A. Reinhard2, L. F. White 3, J. R. Darling 4, I. R. Barker1, D. J. Larson2, A. J. Irving5, F. M. McCubbin6, K. T. Tait3, J. Roszjar7, A. Wittmann8 and C. Davis1 The timing of the wane in heavy meteorite bombardment of the inner planets is debated. Its timing determines the onset of crustal conditions consistently below the thermal and shock pressure limits for microbiota survival, and so bounds the occur- rence of conditions that allow planets to be habitable. Here we determine this timing for Mars by examining the metamor- phic histories of the oldest known Martian minerals, 4.476–4.429-Gyr-old zircon and baddeleyite grains in meteorites derived from the southern highlands. We use electron microscopy and atom probe tomography to show that none of these grains were exposed to the life-limiting shock pressure of 78 GPa. 97% of the grains exhibit weak-to-no shock metamorphic features and no thermal overprints from shock-induced melting. By contrast, about 80% of the studied grains from bombarded crust on Earth and the Moon show such features. The giant impact proposed to have created Mars’ hemispheric dichotomy must, therefore, have taken place more than 4.48 Gyr ago, with no later cataclysmic bombardments. Considering thermal habitability models, we conclude that portions of Mars’ crust reached habitable pressures and temperatures by 4.2 Gyr ago, the onset of the Martian ‘wet’ period, about 0.5 Gyr earlier than the earliest known record of life on Earth. -
Biological Surface Science
Surface Science 500 (2002) 656–677 www.elsevier.com/locate/susc Biological surface science Bengt Kasemo * Department of Applied Physics, Chalmers University of Technology and Go€teborg University, S-41296 G o€teborg, Sweden Received 13 December 2000; accepted for publication 5 July 2001 Abstract Biological surface science (BioSS), as defined here is the broad interdisciplinary area where properties and processes at interfaces between synthetic materials and biological environments are investigated and biofunctional surfaces are fabricated. Six examples are used to introduce and discuss the subject: Medical implants in the human body, biosensors and biochips for diagnostics, tissue engineering, bioelectronics, artificial photosynthesis, and biomimetic materials. They are areas of varying maturity, together constituting a strong driving force for the current rapid development of BioSS. The second driving force is the purely scientific challenges and opportunities to explore the mutual interaction between biological components and surfaces. Model systems range from the unique water structures at solid surfaces and water shells around proteins and biomembranes, via amino and nucleic acids, proteins, DNA, phospholipid membranes, to cells and living tissue at surfaces. At one end of the spectrum the scientific challenge is to map out the structures, bonding, dynamics and ki- netics of biomolecules at surfaces in a similar way as has been done for simple molecules during the past three decades in surface science. At the other end of the complexity spectrum one addresses how biofunctional surfaces participate in and can be designed to constructively participate in the total communication system of cells and tissue. Biofunctional surfaces call for advanced design and preparation in order to match the sophisticated (bio) recognition ability of biological systems. -
Introduction to Surface Chemistry and Catalysis
INTRODUCTION TO SURFACE CHEMISTRY AND CATALYSIS GABOR A. SOMORJAI Department of Chemistry University of California Berkeley, California A Wiley-Interscience Publication JOHN WILEY & SONS, INC. New York • Chichester • Brisbane • Toronto • Singapore CONTENTS Preface xiii General Introduction xv Lists of Constants xvii List of Symbols xix 1 Surfaces—An Introduction 1 1.1 Historical Perspective, 1 1.2 Surfaces and Interfaces—Classification of Properties, 3 1.3 External Surfaces, 5 1.3.1 Surface Concentration, 5 1.3.1.1 Clusters and Small Particles, 6 1.3.1.2 Thin Films, 8 1.3.2 Internal Surfaces—Microporous Solids, 10 1.4 Clean Surfaces, 12 1.5 Interfaces, 13 1.5.1 Adsorption, 13 1.5.2 Thickness of Surface Layers, 15 1.6 The Techniques of Surface Science, 15 1.7 Summary and Concepts, 17 1.8 Problems, 17 References, 18 2 The Structure of Surfaces 36 2.1 Introduction, 36 2.2 Surface Diffraction, 42 2.3 Notation of Surface Structures, 43 2.3.1 Abbreviated Notation of Simple Surface Structures, 45 2.3.2 Notation of High-Miller-Index, Stepped Surfaces, 47 VII viii CONTENTS 2.4 The Structure of Clean Surfaces, 48 2.4.1 Bond-Length Contraction or Relaxation, 48 2.5 Reconstruction, 50 2.5.1 Atomic Steps and Kinks, 52 2.6 The Structure of Adsorbed Monolayers, 54 2.6.1 Ordered Monolayers and the Reasons for Ordering, 54 2.6.2 Adsorbate-Induced Restructuring, 55 2.6.3 Atomic Adsorption and Penetration into Substrates, 58 2.6.4 Metals on Metals: Epitaxial Growth, 60 2.6.5 Growth Modes at Metal Surfaces, 60 2.6.6 Molecular Adsorption, 60 2.6.6.1 Ethylene, -
Psychopathology and Cognition As Markers of Risk for Bipolar Disorder
View metadata, citation and similar papers at core.ac.uk brought to you by CORE provided by Online Research @ Cardiff Psychopathology and cognition as markers of risk for bipolar disorder Sumit Mistry Thesis submitted in fulfilment of the requirements for the degree of Doctor of Philosophy 20 20 Acknowledgements Having entered this PhD with a limited understanding of Psychiatry and Genetics, the completion of this thesis would not have been possible without support from a number of individuals. I am extremely grateful to my PhD supervisors Professors Stanley Zammi t, Daniel Smith and Valentina Escott - Price for their continuous support throughout my PhD. I am truly appreciative of their time and energy, keeping me on track, discu ssing ideas and results with me even though they are so busy . Stan has been nothing short of an excellent supervisor. His understanding of me having bipolar disorder and the difficulties that are associated with having the disorder have truly enabled me to get through the PhD process and to submit this thesis. Both Stan and Danny have read man y iterations of my drafts for publication s and helped me with addressing reviewer comments, something I had not do ne before. I would like to thank my co -authors Dr Hannah Jones from the University of Bristol , and Dr s Judith Harrison and Ar ianna Di Florio from Cardiff University for their help with running C onfirmatory Factor A nalysis ( Chapter 4 ), checking full texts for the systematic review (C hapter 6) and being the Cardiff University PGC Bipolar Disorder lead respectively.