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Author : Ze Jing
Publisher :
ISBN 13 :
Total Pages : 506 pages
Book Rating : 4.:/5 (271 download)
Download or read book Theoretical Studies of Chemisorption on Semiconductor and Transition Metal Surfaces written by Ze Jing and published by . This book was released on 1991 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : J. R. Smith
Publisher : Springer Science & Business Media
ISBN 13 : 364281431X
Total Pages : 247 pages
Book Rating : 4.6/5 (428 download)
Download or read book Theory of Chemisorption written by J. R. Smith and published by Springer Science & Business Media. This book was released on 2013-03-08 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Theoretical Studies of Chemisorption on Transition Metal Surfaces written by and published by . This book was released on 1978 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemisorption of molecules on solid surfaces, the development of a general formalism, and specific applications to the hydrogen-titanium system were studied. For H2 on Ti, the goal is a determination of the energetics of adsorption and molecular dissociation as a function of surface site and a general description of bonding in the surface region including the response of the lattice to the absorbate. (FS).
Download or read book Theoretical Studies of Chemisorption on Transition-metal Surfaces written by and published by . This book was released on 1982 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The research concerns the theory of chemisorption of molecules on solid surfaces: the development of a general formalism, and specific applications to the hydrogen-titanium system. The objective is to develop a suitable formalism for treating electronic interactions at an ab initio level when both localized and delocalized interactions occur, as in the case of molecular adsorption on a metallic surface. For H2 and CO adsorption on titanium, the goal is a determination of the energetics of adsorption and molecular dissociation as a function of surface site. The first phase of the research concerned primarily the formalism and the second the modeling of the titanium surface, preparatory to the chemisorption studies. The final phase of the research has dealt with applications of the chemisorption theory to several systems: H2 on Ti(0001), CO on Ti(0001), interstitial H in titanium, H on Cu(100) and H2 dissociation on Cu(100). Work on stepped copper surfaces and CO interactions with Ni(100) was also begun. With the exception of the latter two projects now underway, the results of all studies have been published. Brief summaries of the individual projects are included in this report.
Download or read book Theoretical Studies of Chemisorption on Transition Metal Surfaces written by and published by . This book was released on 1978 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The research is concerned with the theory of chemisorption of molecules on solid surfaces, with applications to the hydrogen-titanium system. The ab initio computational formulation is based on two main ideas: (1) the application of a recently developed approximation technique which utilizes error bounds on electrostatic interactions to achieve a major organizational simplification of the problem, and (2) the definition of a local (surface) region plus the adsorbate in which the partitioning is accomplished by an orbital localization scheme. The first phase of research was concerned primarily with the implementation of basic computational techniques including the approximation of electrostatic interactions, development of multipole expansions, and the direct approximation of the electron density and first order density matrix derived from a given wavefunction based on error bound criteria. A pseudopotential method was developed for the approximation of atomic cores. Calculations on Ti atom, TiH, Ti/sub n/-linear (n = 1-10), Ti9-planar, and Ti9H systems were carried out to test the computational methods and to examine the concept of a local (surface) region defined by the localization transformation. In all linear chain and Ti9-planar cases, the exchange maximization with a designated site gave well localized orbitals, and in the linear chains, the localized orbitals were found to be invariant for n greater than or equal to 4.
Author : Flavio Favot
Publisher :
ISBN 13 :
Total Pages : 164 pages
Book Rating : 4.:/5 (845 download)
Download or read book Chemisorption on Transition Metal Surfaces written by Flavio Favot and published by . This book was released on 2001 with total page 164 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 8 pages
Book Rating : 4.:/5 (893 download)
Download or read book Theoretical Studies of Chemisorption and Surface Reactions on Nickel and Silicon written by and published by . This book was released on 1990 with total page 8 pages. Available in PDF, EPUB and Kindle. Book excerpt: The research is part of a theoretical program on the structure of molecules adsorbed on solid surfaces and dissociative chemisorption which emphasis on transition metal substrates and electronic materials. An embedding theory for treating chemisorption on metals is further developed and applied to the reaction of hydrocarbon fragments and hydrogen coadsorbed on nickel, the dissociation of water on nickel, and the system H/Ni, NH3/Ni, and C6H6/Ni. The main emphasis of the work is on the energetics of adsorption as a function of surface site, the potential energy for adsorbate motion between surface sites and the energetics of surface reactions. Equilibrium geometries, vibrational frequencies and ionization potentials are also calculated. Preliminary work on the description of Si(100) surfaces has been completed in preparation of H/Si and N/Si adsorption studies. Studies of [pi] bonding on Si(111) were also completed and work was begun on the Auger ionization of F/Si. The original form of the embedding theory has been extended to make use of an effective potential representation of the bulk electrons interacting with the embedded surface region. Effective core potentials for Fe have been developed.
Author : Anton Kokalj
Publisher :
ISBN 13 :
Total Pages : 183 pages
Book Rating : 4.:/5 (441 download)
Download or read book A theoretical study of chemisorption and reactions on transition metal surfaces written by Anton Kokalj and published by . This book was released on 2000 with total page 183 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : T. Wolkenstein
Publisher : Springer Science & Business Media
ISBN 13 : 1461536561
Total Pages : 457 pages
Book Rating : 4.4/5 (615 download)
Download or read book Electronic Processes on Semiconductor Surfaces during Chemisorption written by T. Wolkenstein and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 457 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Hands are useless if there are no eyes to see what is obvious." -M. V. Lomonosov Dear Reader, I invite you to open this book and step on the semiconductor surface, where the processes that form the subject of the book come into play. The surface of the semiconductor is attracting more and more interest among researchers, in fact researchers in two different fields. These are notably the physicists and engineers engaged in research in semi conductor physics and the making of semiconductor devices. The entire industry of semiconductor instruments hinges on the problem of the surface. The quality of semiconductor devices, whose use is growing steadily, depends essentially on the properties of the surface. The instability of these properties and their uncon trollable alterations with temperature and under the influence of environmental conditions result in a lack of stability in the performance of semiconductor devices, hence the high percentage of waste in their industrial production. The methods used in factory laboratories to prevent such waste are largely empirical. The properties of the surface, the nature of the physicochemical processes that take place on it, and the role of environmental factors still remain obscure. A major task of the semiconductor industry is to learn to control the properties of the surface.
Author : D S Wang
Publisher : World Scientific
ISBN 13 : 9814611379
Total Pages : 302 pages
Book Rating : 4.8/5 (146 download)
Download or read book Lectures On Solid Surfaces And Interfaces - Proceedings Of The International School On Surface Physics written by D S Wang and published by World Scientific. This book was released on 1990-11-02 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: This proceedings contains 9 lectures given by active research scientists, introducing the latest developments in the field of surface physics. The main topics cover both experimental and theoretical aspects of the atomic and electronic structure of semiconductor surface, its characterization by direct and inverse photoemission and STM, chemisorption and bonding on semiconductor, growth of III-V compound semiconductor and metal surface, metal-semiconductor interface and metal silicides.
Author : Hong-Qing Shi
Publisher :
ISBN 13 :
Total Pages : 312 pages
Book Rating : 4.:/5 (224 download)
Download or read book Theoretical Studies of Metal Chemisorption on Silicon (001) and (111) Surfaces written by Hong-Qing Shi and published by . This book was released on 2004 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Anders Nilsson
Publisher : Elsevier
ISBN 13 : 0080551912
Total Pages : 533 pages
Book Rating : 4.0/5 (85 download)
Download or read book Chemical Bonding at Surfaces and Interfaces written by Anders Nilsson and published by Elsevier. This book was released on 2011-08-11 with total page 533 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Vsevolod F. Kiselev
Publisher : Springer Science & Business Media
ISBN 13 : 3642738877
Total Pages : 453 pages
Book Rating : 4.6/5 (427 download)
Download or read book Adsorption and Catalysis on Transition Metals and Their Oxides written by Vsevolod F. Kiselev and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 453 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with adsorption and catalysis on the surface of transition elements and their compounds, many of which are in teresting because of their particular electronic structure. The authors have worked through a vast body of experimental evi dence on the structure and properties of surfaces of transition metals and relevant oxides. Consideration is given mostly to simple (as opposed to mixed) oxides of transition elements, to common metals and to the adsorption of simple gases. A great deal of attention is paid to the nature of active surface sites responsible for chemisorption and catalytic transformations. The description relies mainly on the simplified ligand-field theory, which, however, proves quite satisfactory for predicting the adsorptive and catalytic activity of species. In many cases simple systems were explored with the aid of novel techniques, and it is only for such systems that the mechanism of the ele mentary act of adsorption and catalysis can be given adequate treatment. The present monograph has emerged from our earlier work in Russian, which appeared in the Khimiya Publishing House (Mos cow) in 1981. This English edition has, however, been revised completely to broaden its scope and to include more recent a chievements. For fruitful discussions the authors are grateful to A.A.
Download or read book Theroretical Studies of Chemisorption on Transition Metal Surfaces written by and published by . This book was released on 1979 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The theory of chemisorption of molecules on solid surfaces, including the development of a general formalism and specific applications to the hydrogen-titanium system are described. The objective is to develop a suitable formalism for treating electronic interactions at an ab initio level when both localized and delocalized interactions occur, as in the case of molecular adsorption on a metallic surface. For H2 on titanium, the goal is a determination of the energetics of adsorption and molecular dissociation as a function of surface site. The first phase of the research concerned primarily the formalism and the second, the modeling of the titanium surface, preparatory to the chemisorption studies. To investigate surface models, SCF calculations on Ti10 at Ti30 closed packed sheets and a Ti54 three layer model were used. A key element of the theory is the partitioning of the lattice wave-function into localized surface components and an interior region and such localizations were examined for the Ti10, Ti30 and Ti54 models. In addition questions concerning the extent of d orbital localization were investigated on linear chains of Ti atoms and results were compared with previous ab initio SCF calculations. Preliminary calculations of H2 on a 10-atom Ti monolayer are also reported.
Author :
Publisher :
ISBN 13 :
Total Pages : 104 pages
Book Rating : 4.:/5 (771 download)
Download or read book The Influence of Chemisorption on the Electrical Conductivity of Thin Semiconductors written by and published by . This book was released on 1971 with total page 104 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Yeh Chang
Publisher :
ISBN 13 :
Total Pages : 260 pages
Book Rating : 4.:/5 (89 download)
Download or read book Chemisorption of Semiconductors on Metal Surfaces written by Yeh Chang and published by . This book was released on 1989 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : J. E. Demuth
Publisher :
ISBN 13 :
Total Pages : 146 pages
Book Rating : 4.:/5 (221 download)
Download or read book Spectroscopic Studies of Chemical Adsorption and Reactions at Transition Metal Surfaces written by J. E. Demuth and published by . This book was released on 1977 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt: The accomplishments of the work under the title 'Spectroscopic Studies of Chemical Adsorption and Reactions at Transition Metal Surfaces' are summarized. Included are studies of flat and stepped surfaces, of surfaces with chemisorbed species and of reactions on these surfaces. Experimental techniques utilized include ultraviolet photoemission spectroscopy, optical reflectance spectroscopy, photoelectron yield spectroscopy and thermal desorption mass spectroscopy.
