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Author: Anders Nilsson
Publisher: Elsevier
ISBN: 0080551912
Category : Science
Languages : en
Pages : 533
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Book Description
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
Author: Anders Nilsson
Publisher: Elsevier
ISBN: 0080551912
Category : Science
Languages : en
Pages : 533
Get Book Here
Book Description
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
Author: Thor N. Rhodin
Publisher: North-Holland
ISBN:
Category : Science
Languages : en
Pages : 428
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Book Description
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
Author: Gernot Frenking
Publisher: John Wiley & Sons
ISBN: 3527333150
Category : Science
Languages : en
Pages : 569
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Book Description
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.
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Author: S.R. Morrison
Publisher: Springer Science & Business Media
ISBN: 1489924981
Category : Science
Languages : en
Pages : 448
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Book Description
of available information. Even more importantly, some authors who have contributed substantially to an area may have been overlooked. For this I apologize. I have, however, not attempted to trace techniques or observa tions historically, so there is no implication (unless specified) that the authors referred to were or were not the originators of a given method or observation. I would like to acknowledge discussions with co-workers at SFU for input relative to their specialties, to acknowledge the help of students who have pointed out errors and difficulties in the earlier presentation, and to acknowledge the infinite patience of my wife Phyllis while I spent my sabbatical and more in libraries and punching computers. S. Roy Morrison 0 1 Contents Notation XV 1. Introduction 1 1. 1. Surface States and Surface Sites . 1 1. 1. 1. The Chemical versus Electronic Representation of the Surface. 1 1. 1. 2. The Surface State on the Band Diagram 4 1. 1. 3. The Fermi Energy in the Surface State Model. 6 1. 1. 4. Need for Both Surface Site and Surface State Models 6 1. 2. Bonding of Foreign Species to the Solid Surface 7 1. 2. 1. Types of Interaction. 7 1. 2. 2. The Chemical Bond . 10 1. 2. 3. Acid and Basic Surface Sites on Solids . 13 1. 2. 4. Adsorbate Bonding on Various Solid Types. 16 1. 2. 5. Movement of Surface Atoms: Relaxation, Reconstruction, and Relocation .
Author: Norman H. March
Publisher: Springer Science & Business Media
ISBN: 1461321174
Category : Science
Languages : en
Pages : 292
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Book Description
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.
Author: United States. National Bureau of Standards
Publisher:
ISBN:
Category : Chemistry
Languages : en
Pages : 572
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Book Description
Author: Kenneth L. Bell
Publisher: Springer Science & Business Media
ISBN: 0306474646
Category : Science
Languages : en
Pages : 287
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Book Description
Professor Philip G. Burke, CBE, FRS formally retired on 30 September 1998. To recognise this occasion some of his colleagues, friends, and former students decided to hold a conference in his honour and to present this volume as a dedication to his enormous contribution to the theoretical atomic physics community. The conference and this volume of the invited talks reflect very closely those areas with which he has mostly been asso- ated and his influence internationally on the development of atomic physics coupled with a parallel growth in supercomputing. Phil’s wide range of interests include electron-atom/molecule collisions, scattering of photons and electrons by molecules adsorbed on surfaces, collisions involving oriented and chiral molecules, and the development of non-perturbative methods for studying multiphoton processes. His devel- ment of the theory associated with such processes has enabled important advances to be made in our understanding of the associated physics, the interpretation of experimental data, has been invaluable in application to fusion processes, and the study of astrophysical plasmas (observed by both ground- and space-based telescopes). We therefore offer this volume as our token of affection and respect to Philip G. Burke, with the hope that it may also fill a gap in the literature in these important fields.
Author: Rutger A. van Santen
Publisher: John Wiley & Sons
ISBN: 3527694528
Category : Technology & Engineering
Languages : en
Pages : 592
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Book Description
Written by one of the world's leading experts on the topic, this advanced textbook is the perfect introduction for newcomers to this exciting field. Concise and clear, the text focuses on such key aspects as kinetics, reaction mechanism and surface reactivity, concentrating on the essentials. The author also covers various catalytic systems, catalysis by design, and activation-deactivation. A website with supplementary material offers additional figures, original material and references.
