Theory Of Chemisorption
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Theory Of Chemisorption
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Author : J. R. Smith
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-08
Theory Of Chemisorption written by J. R. Smith and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-08 with Technology & Engineering categories.
The theory of the chemical interaction of molecules with surfaces has advanced handsomely in the last few years. This is due in part to the application of the entire arsenal of bulk solid-state theory and molecular quantum chemistry methods. This considerable activity was stimulated by an outpouring of experimental data, particularly of photoemission spectra. In many cases the theoretical techniques are now such that accurate, atomistic pictures of chemisorption phenomena are computed from first principles. This level of capability has been reached only recently, and has not been described anywhere in a comprehensive manner. The purpose of this monograph is to review these recent advances and, at the same time, to indicate a number of important questions which have not been answered. We discuss chemisorption on oxides, semiconductors, and both simple and transition metals. Solid surfaces as well as clusters are considered. While the review should be valuable to workers in the field, care has been taken to make the chapters understandable to the nonspecialist.
Theory Of Chemisorption
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Author : J. R. Smith
language : en
Publisher:
Release Date : 1980-03-01
Theory Of Chemisorption written by J. R. Smith and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1980-03-01 with categories.
Green Function Theory Of Chemisorption
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Author : Sydney G. Davison
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-11-05
Green Function Theory Of Chemisorption written by Sydney G. Davison and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-11-05 with Science categories.
Prefaces are like speeches before the c- tain; they make even the most self-forgetful performers seem self-conscious. — William Allen Neilson The study of phenomena and processes at the phase boundaries of m- ter is the realm of the surface scientist. The tools of his trade are drawn from across the spectrum of the various scienti?c disciplines. It is therefore interesting that, in investigating the properties of such boundaries, the s- facist must transcend the interdisciplinary boundaries between the subjects themselves. In this respect, he harkens back to the days of renaissance man, when knowledge knew no boundaries, and was pursued simply for its own sake, in the spirit of enlightenment. Chemisorption is a gas-solid interface problem, involving the inter- tion of a gas atom with a solid surface via a charge-transfer process, during which a chemical bond is formed. Because of its importance in such areas as catalysis and electronic-device fabrication, the subject of chemisorption is of interest to a wide range of surfacists in physics, chemistry, materials science, as well as chemical and electronic engineering. As a result, a vast lite- ture has been created, though, despite this situation, there is a surprising scarcity of books on the subject. Moreover, those that are available tend to be experimentally oriented, such as, Chemisorption: An Experimental - proach (Wedler 1976). On the theoretical side, The Chemisorption Bond (Clark 1974) provides a good introduction, but is limited in not describing the more advanced techniques presently in use.
Theory Of Chemisorption And Reactions On Metal Surfaces
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Author : J. L. Whitten
language : en
Publisher:
Release Date : 1996
Theory Of Chemisorption And Reactions On Metal Surfaces written by J. L. Whitten and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996 with Chemisorption categories.
Chemisorption And Reactivity On Supported Clusters And Thin Films
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Author : R.M. Lambert
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-17
Chemisorption And Reactivity On Supported Clusters And Thin Films written by R.M. Lambert and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-17 with Science categories.
Heterogeneous catalysis provides the backbone of the world's chemical and oil industries. The innate complexity of practical catalytic systems suggests that useful progress should be achievable by investigating key aspects of catalysis by experimental studies on idealised model systems. Thin films and supported clusters are two promising types of model system that can be used for this purpose, since they mimic important aspects of the properties of practical dispersed catalysts. Similarly, appropriate theoretical studies of chemisorption and surface reaction clusters or extended slab systems can provide valuable information on the factors that underlie bonding and catalytic activity. This volume describes such experimental and theoretical approaches to the surface chemistry and catalytic behaviour of metals, metal oxides and metal/metal oxide systems. An introduction to the principles and main themes of heterogeneous catalysis is followed by detailed accounts of the application of modern experimental and theoretical techniques to fundamental problems. The application of advanced experimental methods is complemented by a full description of theoretical procedures, including Hartree-Fock, density functional and similar techniques. The relative merits of the various approaches are considered and directions for future progress are indicated.
Theory Of Chemisorption Including The Effect Of Substrate Spin Fluctuations
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Author : Herbert Hans Kranz
language : en
Publisher:
Release Date : 1978
Theory Of Chemisorption Including The Effect Of Substrate Spin Fluctuations written by Herbert Hans Kranz and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1978 with Chemisorption categories.
Density Functional Theory Of Chemisorption On Metal Surfaces
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Author : Walter Kohn
language : en
Publisher:
Release Date : 1974
Density Functional Theory Of Chemisorption On Metal Surfaces written by Walter Kohn and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1974 with categories.
The density functional theory of chemisorption is developed by means of a self-consistent linear response formalism. Any chemisorbed species which can be represented as an external charge distribution perturbing the metallic surface can be studied with this approach. The formalism is applied to hydrogen chemisorbed on a tungsten surface. Theoretical results for the ionic desorption energy, adatom vibrational frequency, relative size of the dipole moment, resonance levels associated with the adsorbate, and the question of dissociation agree well with experimental measurements. The calculated level width is too large. Differential scattering cross sections for chemisorbed hydrogen are compared with those of the isolated atom. The rather satisfactory overall agreement of our theory with experimental results suggests that the linear response formalism may have a wider usefulness.
Quantum Chemistry Approaches To Chemisorption And Heterogeneous Catalysis
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Author : F. Ruette
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-14
Quantum Chemistry Approaches To Chemisorption And Heterogeneous Catalysis written by F. Ruette and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-14 with Science categories.
The development of "high-tech" materials in contemporary industries is deeply related to a detailed understanding of specific surface properties of catalysts which make particular reactions possible. But this understanding presupposes that there exists a body of theory capable of explaining situations not easily accessible to experimental methods and of relating experimental findings among themselves and with theoretical constructs. For these reasons, theoretical developments in surface physics and surface chemistry of transition metal compounds have been of paramount importance in promoting progress in catalysis, electronic devices, corrosion, etc. Although a great variety of spectroscopic methods for analyzing solids and surfaces at molecular scale have been introduced in recent years, nevertheless, many questions about the adsorption sites and intermediates, the effect of promoters, the poisoning of active sites, the nature of segregation of impurities, the process of surface reconstruction, the mechanisms of reactions, etc. have remained unanswered simply because of the great complexity of surface phenomena. It is in this sense that quantum mechanical method- combined with experimental data - may shed some light on the microscopic properties of new surface materials.
The Electronic Theory Of Chemisorption And Catalysis
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Author : Oleksandr Sergìjovič Moroz
language : en
Publisher:
Release Date : 2008
The Electronic Theory Of Chemisorption And Catalysis written by Oleksandr Sergìjovič Moroz and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with Catalysis categories.
The Theory Of Adsorption And Catalysis
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Author : Alfred Clark
language : en
Publisher:
Release Date : 1970
The Theory Of Adsorption And Catalysis written by Alfred Clark and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1970 with Science categories.