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Our understanding of catalytic reactions exists at various levels which are mainly defined from detailed knowledge of reaction mechanism. When viewed in terms of the stoi chiometric reaction equation, most catalytic reactions are complex processes which occur via a sequence of elementary (i. e. irreducible) steps, and the elucidation ofthese elementary steps and the identification of a rate determining step (if one exists) constitutes the traditional approach to the problem of mechanism. The term "traditional" is not used here in a pejorative sense since mechanistic knowledge of this sort makes an important contribution to catalyst design, improvement, and optimization. This is the field which is discussed by Professor R. L. Burwell in Chapter 1 where the very wide range of useful approaches and techniques is made apparent, even when one is restricted to quasi-steady state conditions. Techniques which depend on observations under non steady state conditions (i. e. relaxation methods) have also been used in mechanistic studies, increasingly so in recent years. This topic is discussed in detail by Professor K. Tamaru in Chapter 2. At a deeper level of understanding, one may seek to enquire how an elementary reaction proceeds in terms of movement in a multicoordinate space where the variables define atomic positions and energy. This is a problem of great complexity even in relatively simple cases. Nevertheless, despite the problems some progress is being made, and this and allied topics are discussed in Chapter 3 by Professor G. L. Haller and Dr. G. W. Coulston.
This book comprises the proceedings of a NATO sponsored Advanced Research Workshop held from 1st November to 6th November 1992 in the delightful Chateau de Florans, Bedoin, Vaucluse, France and entitled 'Elementary Reaction Steps in Heterogeneous Catalysis. ' The organisers are grateful to the Science Committee of NATO for their support of this meeting. This is believed to be the first wide ranging NATO ARW in the field of heterogeneous catalysis for 20 years, following a previous venture organised in Sardinia by Basolo and Burwell, of Northwestern University, Illinois, USA [1]. This volume collects the lecture presentations and reports on the lively Panel discussions. The idea for the meeting evolved from a series of International Symposia on Quantum Chemistry and Mechanism in Heterogeneous Catalysis. The first of these was held in Lyon, France in 1986, the second in Krakow, Poland in 1988 and the third in Berkeley, California in 1990. The organising committee of the present meeting was Bernard Bigot, France, Tony Farragher, Netherlands, Richard Joyner, UK, Mme. Danielle Olivier, France, and Rutger van Santen, Netherlands, (Chairman). We wish to thank all members of the committee but in particular Bernard Bigot, who undertook the very extensive work involved in the local organisation with consummate skill and made our stay in Provence a great pleasure. Bernard Bigot's secretary, Mme. Marie-Noelle Coscat and Richard Joyner's secretary, Mrs. Pat Gibbs, also deserve our considerable thanks. There were fifty-four participants from eleven countries.
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
While much of traditional surface science has been concerned with equilibrium properties and simple kinetics, there is a growing effort in the area of dynamical processes at surfaces. This book draws together a series of chapters written by acknowledged experts in the field, which describe progress in a range of specific topics. The emphasis is on chemical reaction dynamics, including both theoretical and experimental approaches and covering work on low index single crystal surfaces, on stepped surfaces and on supported metal clusters. Other processes, such as surface diffusion are also addressed. Further chapters discuss dynamical processes in electronically-induced desorption, and in surface diffusion on semiconductors and metals.- Presents considerable advances in surface science field - Collection of expert reviews in surface dynamics