Recent years have witnessed tremendous progress in the theoretical treatment of surfaces and processes on surfaces. A variety of surface properties can now be described from first principles, i.e. without invoking any empirical parameters. In this book the theoretical concepts and computational tools necessary and relevant for a microscopic approach to the theoretical description of surface science is presented. Based on the fundamental theoretical entity, the Hamiltonian, a hierarchy of theoretical methods is introduced. Furthermore, a detailed discussion of surface phenomena is given and comparisons made to experimental results made, making the book suitable for both graduate students and for experimentalists seeking an overview of the theoretical concepts in surface science.

Surface chemistry is an essential and developing area of physical chemistry and one that has become increasingly interdisciplinary. The Second Edition of Surface Science: Foundations of Catalysis and Nanoscience has been fully revised and updated to reflect all the latest developments in the field and now includes an extensive discussion about nanoparticle growth and the quantum confinement effects in nanoscale systems. Two new chapters have been added and discuss The Liquid/Solid Interface and Non-Thermal Reactions, and Photon and Electron Stimulated Chemistry and Atom Manipulation. There are now many more worked examples included throughout to help students develop their problem-solving skills.

Surface science emerged in the 1960s with the development of reliable ultrahigh vacuum apparatus, providing exact structures of surfaces of metal single crystals, information about their compositions, and relationships between surface structure and composition and catalytic reaction rates. Catalysis, the acceleration of a chemical reaction by a catalyst (substance), provided much of the driving force for the early development of surface science. As surface science continues its rapid development, this book illustrates how it is still driven by the challenges of catalysis and how both theory and scanning tunneling microscopy have forcefully emerged as essential tools. It is also evident how surface science continues to serve as the foundation of catalytic science. This is a compendium written by leading surface scientists presenting an incisive assessment of up-to-date theoretical and experimental results constituting the foundation of fundamental understanding of surface catalysis. This paperback.

Revised and expanded second edition of the standard work on new techniques for studying solid surfaces.

The theory of surface states underlies our knowledge of the behavior of electrons at solid surfaces, which is of paramount importance in understanding the mechanisms by which solid-state devices operate and catalytic reactions proceed. In this work, the subject is viewed through the "theoretical eye" of a physicist, but the topics are treated in an elementary fashion. The main features of the presentation are its instructive, model-based approach; detailed step-by-step derivations of the equations; smooth progression through the simple wave-function matching techniques to the more sophisticated Green-function methods; and the historical theme, which traces the evolution of the subject from its founding by the Nobel Laureate Igor Tamm in 1932, through the invention of the transistor in 1947 by Schockley, Bardeen and Brattain, to recent developments. The book will appeal to both theoretical and experimental surface scientists from chemistry, materials science, and electronic engineering.

An innovative, unified, and comprehensive treatment of the geometric and electronic structure of surfaces. The book emphasizes fundamental aspects, such as the principles of surface crystallography and thermodynamics, the forces driving the rearrangement of the atoms, and the relationship between bonding and electronic structure. It especially illuminates the relationship between surface orientation, chemistry, energetics, and the resulting properties. Principles of Surface Physics develops general physical arguments and methods that enable readers to analyse novel surfaces and interfaces of new materials. This makes the book an indispensable reference to all those studying growth, surface-molecule interactions, self-assembled structures, and materials engineering.

The book describes the experimental techniques employed to study surfaces and interfaces. The emphasis is on the experimental method. Therefore all chapters start with an introduction of the scientific problem, the theory necessary to understand how the technique works and how to understand the results. Descriptions of real experimental setups, experimental results at different systems are given to show both the strength and the limits of the technique. In a final part the new developments and possible extensions of the techniques are presented. The included techniques provide microscopic as well as macroscopic information. They cover most of the techniques used in surface science.

Surfaces and interfaces play an increasingly important role in today's solid state devices. In this book the reader is introduced, in a didactic manner, to the essential theoretical aspects of the atomic and electronic structure of surfaces and interfaces. The book does not pretend to give a complete overview of contemporary problems and methods. Instead, the authors strive to provide simple but qualitatively useful arguments that apply to a wide variety of cases. The emphasis of the book is on semiconductor surfaces and interfaces but it also includes a thorough treatment of transition metals, a general discussion of phonon dispersion curves, and examples of large computational calculations. The exercises accompanying every chapter will be of great benefit to the student.

This graduate-level textbook covers the major developments in surface sciences of recent decades, from experimental tricks and basic techniques to the latest experimental methods and theoretical understanding. It is unique in its attempt to treat the physics of surfaces, thin films and interfaces, surface chemistry, thermodynamics, statistical physics and the physics of the solid/electrolyte interface in an integral manner, rather than in separate compartments. It is designed as a handbook for the researcher as well as a study-text for graduate students. Written explanations are supported by 350 graphs and illustrations.

Molecular surface science has made enormous progress in the past 30 years. The development can be characterized by a revolution in fundamental knowledge obtained from simple model systems and by an explosion in the number of experimental techniques. The last 10 years has seen an equally rapid development of quantum mechanical modeling of surface processes using Density Functional Theory (DFT). Chemical Bonding at Surfaces and Interfaces focuses on phenomena and concepts rather than on experimental or theoretical techniques. The aim is to provide the common basis for describing the interaction of atoms and molecules with surfaces and this to be used very broadly in science and technology. The book begins with an overview of structural information on surface adsorbates and discusses the structure of a number of important chemisorption systems. Chapter 2 describes in detail the chemical bond between atoms or molecules and a metal surface in the observed surface structures. A detailed description of experimental information on the dynamics of bond-formation and bond-breaking at surfaces make up Chapter 3. Followed by an in-depth analysis of aspects of heterogeneous catalysis based on the d-band model. In Chapter 5 adsorption and chemistry on the enormously important Si and Ge semiconductor surfaces are covered. In the remaining two Chapters the book moves on from solid-gas interfaces and looks at solid-liquid interface processes. In the final chapter an overview is given of the environmentally important chemical processes occurring on mineral and oxide surfaces in contact with water and electrolytes. - Gives examples of how modern theoretical DFT techniques can be used to design heterogeneous catalysts - This book suits the rapid introduction of methods and concepts from surface science into a broad range of scientific disciplines where the interaction between a solid and the surrounding gas or liquid phase is an essential component - Shows how insight into chemical bonding at surfaces can be applied to a range of scientific problems in heterogeneous catalysis, electrochemistry, environmental science and semiconductor processing - Provides both the fundamental perspective and an overview of chemical bonding in terms of structure, electronic structure and dynamics of bond rearrangements at surfaces