Chemical Bonds Outside Metal Surfaces

Chemical Bonds Outside Metal Surfaces
Author: Norman H. March
Publisher: Springer Science & Business Media
Total Pages: 292
Release: 2012-12-06
Genre: Science
ISBN: 1461321174

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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.

Chemical Bonding at Surfaces and Interfaces

Chemical Bonding at Surfaces and Interfaces
Author: Anders Nilsson
Publisher: Elsevier
Total Pages: 533
Release: 2011-08-11
Genre: Science
ISBN: 0080551912

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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

Metal-Catalysed Reactions of Hydrocarbons

Metal-Catalysed Reactions of Hydrocarbons
Author: Geoffrey C. Bond
Publisher: Springer Science & Business Media
Total Pages: 677
Release: 2006-10-03
Genre: Science
ISBN: 0387261117

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This unique book, drawing on the author’s lifetime experience, critically evaluates the extensive literature on the field of Metal-Catalysed Reactions of Hydrocarbons. Emphasis is placed on reaction mechanisms involving hydrogenation, hydrogenolysis, skeletal and positional isomerisation, and exchange reactions. The motivation for fundamental research in heterogeneous catalysis is to identify the physicochemical characteristics of active centres for the reaction being studied, to learn how these may be modified or manipulated to improve the desired behavior of the catalyst, and to recognize and control those aspects of the catalyst's structure that limit its overall performance. By restricting the subject of the book to hydrocarbons, Bond has progressively developed the subject matter to include areas of importance both to researchers and to those working in the industry.

Interaction of Atoms and Molecules with Solid Surfaces

Interaction of Atoms and Molecules with Solid Surfaces
Author: V. Bortolani
Publisher: Springer Science & Business Media
Total Pages: 693
Release: 2013-11-22
Genre: Science
ISBN: 1468487779

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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).

Electronic Excitations at Metal Surfaces

Electronic Excitations at Metal Surfaces
Author: Ansgar Liebsch
Publisher: Springer Science & Business Media
Total Pages: 347
Release: 2013-03-09
Genre: Science
ISBN: 1475751079

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In this new work, the focus is on the dynamical response of metal electrons to several types of incident electromagnetic fields. The author, an eminent theorist, discusses Time-Dependent Local Density Approximation's importance in both elucidating electronic surface excitations and describing the ground state properties of electronic systems. Chapters detail theoretical formulations and computational procedures, covering such areas as single-particle and collective modes, spatial distribution of the induced surface charges, and local electric fields. Excitation spectra are shown for a variety of clean simple metals, noble metals, chemisorbed overlayers, charged surfaces, and small metal particles.

Physics and Contemporary Needs

Physics and Contemporary Needs
Author: Riazuddin
Publisher: Springer Science & Business Media
Total Pages: 434
Release: 2012-12-06
Genre: Science
ISBN: 1468424270

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Even in this age of information explosion, Seminars and Symposia have an importance of their own, particularly in countries which are scientifically and geographically remote from active centres of learning. Our scientists suffer this isolation very acutely; the Cow~ission recognises this problem and has endeavoured to solve it through organisation of meetings and conferences in Pakistan to which international specialists in different fields are invited to share their experience with colleagues in Pakistan. We find that the personal encounter and human touch still remain one of the most effective methods of transferring and sharing scientific knowledge. The International Summer College at Nathiagali held in August, 1976, also grew out of our need to communicate with each other and to identify promising areas of development relevant to the needs of a developing country. In the implementation of this idea, the Pakis tan Atomic Energy Commission received support from the International Centre for Theoretical Physics, Trieste and from the Swedish Inter national Development Authority which is gratefully acknowledged.

The Physical Chemistry of Solids

The Physical Chemistry of Solids
Author: Richard John Borg
Publisher: Academic Press
Total Pages: 636
Release: 1992
Genre: Science
ISBN: 9780121184209

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The Physical Chemistry of Solids represents an integrated textbooks on solid state chemistry at an introductory level. This text book will provide instructors with the opportunity to develop a unified course on solid state chemistry at the upper undergraduate/lower graduate level. All major aspects of solid state chemistry are covered as are the principles of chemical bonding and related mathematical concepts and operations. The book concludes each chapter with problem sets to facilitate teaching or self study.

Catalysis by Metals

Catalysis by Metals
Author: Albert Jean Renouprez
Publisher: Springer Science & Business Media
Total Pages: 232
Release: 2013-03-09
Genre: Science
ISBN: 3662062216

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Catalytic reactions on metals are still nowadays involved in more than half of the chemical industrial processes. The winter school held at "I 'Ecole de in March 1996, 13 years after the first one, accounts Physique des Houches" for an evolution of the field in several directions. First, the emulation between theoretical chemistry and solid state physics has emerged on heuristic concepts, leading not only to explanations of the observed phenomena but, for the first time, to predictions of the reactivity of catalytic systems and of the reaction pathways. The second domain which during these years has become of primary importance is the abatement of the pollution. It concerns not only the conversion of polluting effluents but more and more major modifications of the processes to avoid the production of undesired products. Two striking examples are the necessary catalytic conversion of the 100 000 cubic meter of hydrogen that would be produced in a major incident of a nuclear power plant and the replacement of the CFC. The valorization of agricultural supplies can already be considered as one of the major achievement of catalysis. Indeed, the carbon of biosustainable raw materials represents more than 2 orders of magnitude the amount extracted from fossil fuels each year. Moreover, the molecules are already highly functionalised in contrast with hydrocarbons which require costly steps to be converted to the same products. They are now of current use in the elaboration of cosmetics, vitamins, polymers, etc.