Experimental advances in helium atom scattering spectroscopy over the last forty years have allowed the measurement of surface phonon dispersion curves of more than 200 different crystal surfaces and overlayers of insulators, semiconductors and metals. The first part of the book presents, at a tutorial level, the fundamental concepts and methods in surface lattice dynamics, and the theory of atom-surface interaction and inelastic scattering in their various approximations, up to the recent electron-phonon theory of helium atom scattering from conducting surfaces. The second part of the book, after introducing the experimentalist to He-atom spectrometers and the rich phenomenology of helium atom scattering from corrugated surfaces, illustrates the most significant experimental results on the surface phonon dispersion curves of various classes of insulators, semiconductors, metals, layered crystals, topological insulators, complex surfaces, adsorbates, ultra-thin films and clusters. The great potential of helium atom scattering for the study of atomic scale diffusion, THz surface collective excitations, including acoustic surface plasmons, and the future prospects of helium atom scattering are presented in the concluding chapters. The book will be valuable reading for all researchers and graduate students interested in dynamical processes at surfaces.

Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemical double-layer using molecular dynamics and/or continuum descriptions. A thermodynamic description of the interface and reactions taking place at the interface as a function of the electrode potential is provided, as are novel ways to describe rates of heterogeneous electron transfer, proton-coupled electron transfer, and other electrocatalytic reactions. The book also covers multiscale modelling, where atomic level information is used for predicting experimental observables to enable direct comparison with experiments, to rationalize experimental results, and to predict the following electrochemical performance. Uniquely explains how to understand, predict, and optimize the properties and reactivity of electrochemical interfaces starting from the atomic scale Uses an engaging “tutorial style” presentation, highlighting a solid physicochemical background, computational implementation, and applications for different methods, including merits and limitations Bridges the gap between experimental electrochemistry and computational atomistic modelling Written by a team of experts within the field of computational electrochemistry and the wider computational condensed matter community, this book serves as an introduction to the subject for readers entering the field of atom-level electrochemical modeling, while also serving as an invaluable reference for advanced practitioners already working in the field.

This volume of the Handbook of Surface Science covers all aspects of the dynamics of surface processes. Two dozen world leading experts in this field address the subjects of energy exchange in gas atoms, surface collisions, the rules governing dissociative adsorption on surfaces, the formation of nanostructures on surfaces by self-assembly, and the study of surface phenomena using ultra-fast lasers. The chapters are written for both newcomers to the field as well as researchers.• Covers all aspects of the dynamics of surface processes • Provides understanding of this unique field utilizing a multitude of accurate experiments and advanced microscopic theory that allows quantum-level comparisons • Presents the concepts and tools relevant beyond surface science for catalysis, nanotechnology, biology, medicine, and materials

A collection of abstracts for the 19th International Conference on Crystal Growth and Epitaxy (ICCGE-19) to be held jointly with the 19th US Biennial Workshop on Organometallic Vapor Phase Epitaxy (OMVPE-19) and the 17th International Summer School on Crystal Growth (ISSCG-17).

This book covers virtually all aspects of semiconductor nanowires, from growth to related applications, in detail. First, it addresses nanowires’ growth mechanism, one of the most important topics at the forefront of nanowire research. The focus then shifts to surface functionalization: nanowires have a high surface-to-volume ratio and thus are well-suited to surface modification, which effectively functionalizes them. The book also discusses the latest advances in the study of impurity doping, a crucial process in nanowires. In addition, considerable attention is paid to characterization techniques such as nanoscale and in situ methods, which are indispensable for understanding the novel properties of nanowires. Theoretical calculations are also essential to understanding nanowires’ characteristics, particularly those that derive directly from their special nature as one-dimensional nanoscale structures. In closing, the book considers future applications of nanowire structures in devices such as FETs and lasers.

Understanding the structural organization of materials at the atomic scale is a lo- standing challenge of condensed matter physics and chemistry. By reducing the size of synthesized systems down to the nanometer, or by constructing them as collection of nanoscale size constitutive units, researchers are faced with the task of going beyond models and interpretations based on bulk behavior. Among the wealth of new materials having in common a “nanoscale” ngerprint, one can encounter systems intrinsically extending to a few nanometers (clusters of various compo- tions), systems featuring at least one spatial dimension not repeated periodically in space and assemblies of nanoscale grains forming extended compounds. For all these cases, there is a compelling need of an atomic-scale information combining knowledge of the topology of the system and of its bonding behavior, based on the electronic structure and its interplay with the atomic con gurations. Recent dev- opments in computer architectures and progresses in available computational power have made possible the practical realization of a paradygma that appeared totally unrealistic at the outset of computer simulations in materials science. This consists inbeing able to parallel (at least inprinciple) any experimental effort by asimulation counterpart, this occurring at the scale most appropriate to complement and enrich the experiment.

Micro Electro Mechanical Systems (MEMS) is already about a billion dollars a year industry and is growing rapidly. So far major emphasis has been placed on the fabrication processes for various devices. There are serious issues related to tribology, mechanics, surfacechemistry and materials science in the operationand manufacturingof many MEMS devices and these issues are preventing an even faster commercialization. Very little is understood about tribology and mechanical properties on micro- to nanoscales of the materials used in the construction of MEMS devices. The MEMS community needs to be exposed to the state-of-the-artoftribology and vice versa. Fundamental understanding of friction/stiction, wear and the role of surface contamination and environmental debris in micro devices is required. There are significantadhesion, friction and wear issues in manufacturing and actual use, facing the MEMS industry. Very little is understood about the tribology of bulk silicon and polysilicon films used in the construction ofthese microdevices. These issues are based on surface phenomenaand cannotbe scaled down linearly and these become increasingly important with the small size of the devices. Continuum theory breaks down in the analyses, e. g. in fluid flow of micro-scale devices. Mechanical properties ofpolysilicon and other films are not well characterized. Roughness optimization can help in tribological improvements. Monolayers of lubricants and other materials need to be developed for ultra-low friction and near zero wear. Hard coatings and ion implantation techniques hold promise.