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Theoretical Studies Of Chemisorption On Transition Metal Surfaces
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Book Synopsis The Chemisorptive Bond by : Alfred Clark
Download or read book The Chemisorptive Bond written by Alfred Clark and published by Elsevier. This book was released on 2012-12-02 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Chemisorptive Bond: Basic Concepts describes the basic concepts of the chemisorptive bond on solid surfaces from the simple analogies with ordinary chemical bonds to the quantum-mechanical approaches. This book is composed of 10 chapters and begins with discussions of simple formulas for correlating measurable quantities in chemisorptions and catalysis. The succeeding chapters deal with theories based on quantum-mechanical principles that describe the mutual interactions of atoms of the solid and foreign atoms on the surface. The remaining chapters consider the possible arrangements of ligands about a central metal atom, including octahedral, tetrahedral, cubic, and square planar, and how these arrangements affect chemisorption. This book will be of great value to chemical engineers and researchers.
Author :Lauro Oliver Paz Borbón Publisher :Springer Science & Business Media ISBN 13 :3642180124 Total Pages :162 pages Book Rating :4.6/5 (421 download)
Book Synopsis Computational Studies of Transition Metal Nanoalloys by : Lauro Oliver Paz Borbón
Download or read book Computational Studies of Transition Metal Nanoalloys written by Lauro Oliver Paz Borbón and published by Springer Science & Business Media. This book was released on 2011-04-29 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt: The focus of this thesis is the computational modelling of transition metal bimetallic (nanoalloy) clusters. More specifically, the study of Pd-Pt, Ag-Pt, Au-Au and Pd-Au as a few tens of atoms in the gas phase. The author used a combination of global optimization techniques - coupled with a Gupta-type empirical many-body potential - and Density Functional Theory (DFT) calculations to study the structures, bonding and chemical ordering, as well as investigate the chemisorptions of hydrogen and carbon monoxide on bimetallic clusters. This research is highly relevant to experimental catalytic studies and has resulted in more than seven publications in international journals.
Book Synopsis Scientific and Technical Aerospace Reports by :
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 652 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Book Synopsis Theoretical Surface Science by : Axel Groß
Download or read book Theoretical Surface Science written by Axel Groß and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent years have witnessed tremendous progress in the theoretical treatment of surfaces and processes on surfaces. A variety of surface properties can now be described from first principles, i.e. without invoking any empirical parameters. In this book the theoretical concepts and computational tools necessary and relevant for a microscopic approach to the theoretical description of surface science is presented. Based on the fundamental theoretical entity, the Hamiltonian, a hierarchy of theoretical methods is introduced. Furthermore, a detailed discussion of surface phenomena is given and comparisons made to experimental results made, making the book suitable for both graduate students and for experimentalists seeking an overview of the theoretical concepts in surface science.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1993 with total page 754 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Adsorption and Catalysis on Transition Metals and Their Oxides by : Vsevolod F. Kiselev
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.
Book Synopsis Chemisorption and Reactivity on Supported Clusters and Thin Films: by : R.M. Lambert
Download or read book Chemisorption and Reactivity on Supported Clusters and Thin Films: written by R.M. Lambert and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Chemical Bonding at Surfaces and Interfaces by : Anders Nilsson
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 :United States. Department of Energy. Office of Basic Energy Sciences Publisher : ISBN 13 : Total Pages :166 pages Book Rating :4.F/5 ( download)
Book Synopsis Materials Sciences Programs by : United States. Department of Energy. Office of Basic Energy Sciences
Download or read book Materials Sciences Programs written by United States. Department of Energy. Office of Basic Energy Sciences and published by . This book was released on 1978 with total page 166 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Inventory of advanced energy technologies and energy conservation research and development, 1976-1978 by : Oak Ridge National Laboratory
Download or read book Inventory of advanced energy technologies and energy conservation research and development, 1976-1978 written by Oak Ridge National Laboratory and published by . This book was released on 1979 with total page 2238 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Transition Metal Sulphides by : Th. Weber
Download or read book Transition Metal Sulphides written by Th. Weber and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrotreating catalysis with transition metal sulphides is one of the most important areas of industrial heterogeneous catalysis. The present book deals with the chemical and catalytic aspects of transition metal sulphides, focusing on their use in hydrotreating catalysis. The book¿s 12 chapters present reviews of solid-state, coordination and organometallic chemistry, surface science and spectroscopic studies, quantum chemical calculations, catalytic studies with model and real catalysts, as well as refinery processes. A presentation of state-of-the-art background to pertinent work in the field. Can be used as an introduction to the chemical and catalytic properties of transition metal sulphides as well as an advanced level reference.
Book Synopsis Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry by : A. Veillard
Download or read book Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry written by A. Veillard and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last twenty years, developments of the ab initio metho dologies and of the computing capacities have progressively turned quantum chemistry into a predictive tool for molecular systems involving only light elements. The situation appears less advanced for systems containing transition metal elements where specific difficulties arise, like those 1inked to the quasi-degeneracy of the lowest atomic states. Correlation effects, which are important only for quantitative accuracy in the treatment of molecules made of light elements, need sometimes to be considered even for a qualitative des cription of transition metals systems (like the multiple metal-metal bond). The treatment of atoms of a high atomic number has necessited the development of model potential methods. These difficulties ex acerbate for systems containing several trans ition atoms a correct description of the dichromium molecule Crz still represents a challenge to quantum chemists. Yet many advances have been made recently in the theoretical treatment of these systems, despite the fact that our understanding still remains disparate with a variety of models and methodologies used more or less successfully (one-electron models, explicitly correlated ab initio methods, density functional formalisms). For these reasons, a NATO Advanced Research Workshop was organized to review in detail the state-of-the-art techniques and at the same time the most common applications. These encompass many fields including the spectroscopy of diatomics and small aggregates, structure and reactivity problems in organometallic chemistry, the cluster surface analogy with its implications for heterogeneous catalysis and the description of extended structures.
Book Synopsis Progress in Surface and Membrane Science by : D. A. Cadenhead
Download or read book Progress in Surface and Membrane Science written by D. A. Cadenhead and published by Elsevier. This book was released on 2013-10-22 with total page 329 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in Surface and Membrane Science, Volume 9 covers the developments in surface and membrane science. The book discusses the physical adsorption of gases and vapors in micropores; the chemisorption theory; and the role of radioisotopes in the studies of chemisorption and catalysis. The text also describes the interaction of ions with monolayers; and the isolation and characterization of mycoplasma membranes. Chemists, physical chemists, and microbiologists will find the book useful.
Book Synopsis Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Statistics by : Per-Olov Löwdin
Download or read book Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory and Quantum Statistics written by Per-Olov Löwdin and published by . This book was released on 1976 with total page 460 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Bibliography on the High Temperature Chemistry and Physics of Materials by :
Download or read book Bibliography on the High Temperature Chemistry and Physics of Materials written by and published by . This book was released on 1991 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book ERDA Energy Research Abstracts written by and published by . This book was released on 1989 with total page 848 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Chemical Sensors by : Ghenadii Korotcenkov
Download or read book Chemical Sensors written by Ghenadii Korotcenkov and published by Momentum Press. This book was released on 2012-06-15 with total page 467 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical sensors are integral to the automation of myriad industrial processes and everyday monitoring of such activities as public safety, engine performance, medical therapeutics, and many more. This 4 volume reference work covering simulation and modeling will serve as the perfect complement to Momentum Press's 6 volume reference works "Chemical Sensors: Fundamentals of Sensing Materials" and "Chemical Sensors: Comprehensive Sensor Technologies", which present detailed information related to materials, technologies, construction and application of various devices for chemical sensing. This 4 volume comprehensive reference work analyzes approaches used for computer simulation and modeling in various fields of chemical sensing and discusses various phenomena important for chemical sensing such as bulk and surface diffusion, adsorption, surface reactions, sintering, conductivity, mass transport, interphase interactions, etc. In this work it will be shown that theoretical modeling and simulation of the processes, being a basic for chemical sensors operation, could provide considerable progress in choosing both optimal materials and optimal configurations of sensing elements for using in chemical sensors. Each simulation and modeling volume in the present series reviews modeling principles and approaches peculiar to specific groups of materials and devices applied for chemical sensing. Volume 1: Microstructural Characterization and Modeling of Metal Oxides covers microstructural characterization of metal oxides using SEM, TEM, Raman spectroscopy and in-situ high temperature SEM, and multiscale atomistic simulation and modeling of metal oxides, including surface state, stability and metal oxide interactions with gas molecules, water and metals.
