The Nature Of The Surface Chemical Bond

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

A unique overview of the different kinds of chemical bonds that can be found in the periodic table, from the main-group elements to transition elements, lanthanides and actinides. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemical models and faster computers. This is the perfect complement to "Chemical Bonding - Fundamentals and Models" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community.

There is considerable interest, both fundamental and technological, in the way atoms and molecules interact with solid surfaces. Thus the description of heterogeneous catalysis and other surface reactions requires a detailed understand ing of molecule-surface interactions. The primary aim of this volume is to provide fairly broad coverage of atoms and molecules in interaction with a variety of solid surfaces at a level suitable for graduate students and research workers in condensed matter physics, chemical physics, and materials science. The book is intended for experimental workers with interests in basic theory and concepts and had its origins in a Spring College held at the International Centre for Theoretical Physics, Miramare, Trieste. Valuable background reading can be found in the graduate-Ievel introduction to the physics of solid surfaces by ZangwilI(1) and in the earlier works by Garcia Moliner and F1ores(2) and Somorjai.(3) For specifically molecule-surface interac tions, additional background can be found in Rhodin and Ertl(4) and March.(S) V. Bortolani N. H. March M. P. Tosi References 1. A. Zangwill, Physics at Surfaces, Cambridge University Press, Cambridge (1988). 2. F. Garcia-Moliner and F. Flores, Introduction to the Theory of Solid Surfaces, Cambridge University Press, Cambridge (1979). 3. G. A. Somorjai, Chemistry in Two Dimensions: Surfaces, Cornell University Press, Ithaca, New York (1981). 4. T. N. Rhodin and G. Erd, The Nature of the Surface Chemical Bond, North-Holland, Amsterdam (1979). 5. N. H. March, Chemical Bonds outside Metal Surfaces, Plenum Press, New York (1986).

The problem of molecules interacting with metal surfaces has for a very long time been recognized to be of considerable technological as well as fundamental importance. Thus in the former category, a substantial number of important synthetic reactions for industrial purposes make use of metal surfaces as catalysts. Or again, problems of corrosion of metals are of great practical importance, such as in nuclear-reactor technology [see, for instance, my earlier articles, in: Physics Bulletin, Volume 25, p. 582, Institute of Physics, UK (1974); and in: Physics and Contemporqry Needs (Riazuddin, ed. ), Vol. 1, p. 53, Plenum Press, New York (1977)]. It is therefore of significance to strive to gain a more fundamental understand ing of the atomic, and ultimately the electronic, processes that occur when a molecule is brought into the proximity of a metal surface. The present volume focuses mainly on the theory and concepts involved; however, it is intended for readers in chemistry, physics, and materials science who are not specialists in theory but nevertheless wish to learn more about this truly interdisciplinary area of theoretical science. The aim of the book is to present the way in which valence theory can be synthesized with the understanding of metals that has been gained over the last half century or so. While advanced theory has at times been necessary, is largely presented in an extensive set of Appendixes.

Now updated-the current state of development of modern surface science Since the publication of the first edition of this book, molecular surface chemistry and catalysis science have developed rapidly and expanded into fields where atomic scale and molecular information were previously not available. This revised edition of Introduction to Surface Chemistry and Catalysis reflects this increase of information in virtually every chapter. It emphasizes the modern concepts of surface chemistry and catalysis uncovered by breakthroughs in molecular-level studies of surfaces over the past three decades while serving as a reference source for data and concepts related to properties of surfaces and interfaces. The book opens with a brief history of the evolution of surface chemistry and reviews the nature of various surfaces and interfaces encountered in everyday life. New research in two crucial areas-nanomaterials and polymer and biopolymer interfaces-is emphasized, while important applications in tribology and catalysis, producing chemicals and fuels with high turnover and selectivity, are addressed. The basic concepts surrounding various properties of surfaces such as structure, thermodynamics, dynamics, electrical properties, and surface chemical bonds are presented. The techniques of atomic and molecular scale studies of surfaces are listed with references to up-to-date review papers. For advanced readers, this book covers recent developments in in-situ surface analysis such as high- pressure scanning tunneling microscopy, ambient pressure X-ray photoelectron spectroscopy, and sum frequency generation vibrational spectroscopy (SFG). Tables listing surface structures and data summarizing the kinetics of catalytic reactions over metal surfaces are also included. New to this edition: A discussion of new physical and chemical properties of nanoparticles Ways to utilize new surface science techniques to study properties of polymers, reaction intermediates, and mobility of atoms and molecules at surfaces Molecular-level studies on the origin of the selectivity for several catalytic reactions A microscopic understanding of mechanical properties of surfaces Updated tables of experimental data A new chapter on "soft" surfaces, polymers, and biointerfaces Introduction to Surface Chemistry and Catalysis serves as a textbook for undergraduate and graduate students taking advanced courses in physics, chemistry, engineering, and materials science, as well as researchers in surface science, catalysis science, and their applications.

Introducing astrochemistry to a wide audience, this book describes how molecules formed in chemical reactions occur in a range of environments in interstellar and circumstellar space, from shortly after the Big Bang up to the present epoch. Stressing that chemistry in these environments needs to be driven, it helps identify these drivers and the various chemical networks that operate giving rise to signature molecules that enable the physics of the region to be better understood. The book emphasises, in a non-mathematical way, the chemistry of the Milky Way Galaxy and its planet-forming regions, describes how other galaxies may have rather different chemistries and shows how chemistry was important even in the Early Universe when most of the elements had yet to be formed. This book will appeal to anyone with a general interest in chemistry, from students to professional scientists working in interdisciplinary areas and non-scientists fascinated by the evolving and exciting story of chemistry in the cosmos.