Electronic Structure of Alloys, Surfaces and Clusters

Electronic Structure of Alloys, Surfaces and Clusters
Author: Abhijit Mookerjee
Publisher: CRC Press
Total Pages: 384
Release: 2002-11-28
Genre: Technology & Engineering
ISBN: 1482288125

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Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, sur

Electronic Structure of Alloys, Surfaces and Clusters

Electronic Structure of Alloys, Surfaces and Clusters
Author: Abhijit Mookerjee
Publisher: CRC Press
Total Pages: 396
Release: 2002-11-28
Genre: Technology & Engineering
ISBN: 9780415272490

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Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, surfaces and clusters. Understanding the electronic structure of these systems is fundamental not only for the basic science, but also constitutes a very important step in various technological aspects, such as tuning their stabilities, chemical and catalytic reactivities and magnetism. Expert practitioners give an up-to-date account of the field with enough detailed background so that even a newcomer can follow the development. The theoretical framework is discussed in addition to the present status of knowledge in the field. Electronic Structure of Alloys, Surfaces and Clusters also includes an extensive bibliography which provides a comprehensive reading list of work on the topic.

Electronic Structure of Disordered Alloys, Surfaces and Interfaces

Electronic Structure of Disordered Alloys, Surfaces and Interfaces
Author: Ilja Turek
Publisher: Springer Science & Business Media
Total Pages: 327
Release: 2013-11-27
Genre: Science
ISBN: 1461562554

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At present, there is an increasing interest in the prediction of properties of classical and new materials such as substitutional alloys, their surfaces, and metallic or semiconductor multilayers. A detailed understanding based on a thus of the utmost importance for fu microscopic, parameter-free approach is ture developments in solid state physics and materials science. The interrela tion between electronic and structural properties at surfaces plays a key role for a microscopic understanding of phenomena as diverse as catalysis, corrosion, chemisorption and crystal growth. Remarkable progress has been made in the past 10-15 years in the understand ing of behavior of ideal crystals and their surfaces by relating their properties to the underlying electronic structure as determined from the first principles. Similar studies of complex systems like imperfect surfaces, interfaces, and mul tilayered structures seem to be accessible by now. Conventional band-structure methods, however, are of limited use because they require an excessive number of atoms per elementary cell, and are not able to account fully for e.g. substitu tional disorder and the true semiinfinite geometry of surfaces. Such problems can be solved more appropriately by Green function techniques and multiple scattering formalism.

Lectures On Methods Of Electronic Structure Calculations - Proceedings Of The Miniworkshop On "Methods Of Electronic Structure Calculations" And Working Group On "Disordered Alloys"

Lectures On Methods Of Electronic Structure Calculations - Proceedings Of The Miniworkshop On
Author: Ole Krogh Andersen
Publisher: World Scientific
Total Pages: 396
Release: 1995-02-23
Genre: Science
ISBN: 9814583278

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Developments in the density functional theory and the methods of electronic structure calculations have made it possible to carry out ab-initio studies of a variety of materials efficiently and at a predictable level. This book covers many of those state-of-the-art developments and their applications to ordered and disordered materials, surfaces and interfaces and clusters, etc.

Metal Clusters at Surfaces

Metal Clusters at Surfaces
Author: Karl-Heinz Meiwes-Broer
Publisher: Springer Science & Business Media
Total Pages: 315
Release: 2012-12-06
Genre: Science
ISBN: 3642571697

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Due to the interaction with the contact medium, the properties of clusters may change or even disappear. Thus the physics of cluster-on-surface systems -- the main subject of this book -- is of fundamental importance. The book addresses a wide audience, from the newcomer to the expert. Starting from fundamental concepts of adsorbate-surface interactions, the modification of electronic properties through electron confinement, and concepts of cluster production, it elucidates the distinct properties of the new metallic nanostructures.

Electrons In Metals And Alloys

Electrons In Metals And Alloys
Author: J. A. Alonso
Publisher: Academic Press
Total Pages: 616
Release: 2012-12-02
Genre: Technology & Engineering
ISBN: 0080984495

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This book is a broad review of the electronic structure of metals and alloys. It emphasises the way in which the behavior of electrons in these materials governs the thermodynamic and other properties of these conducting materials. The theoretical treatment proceeds from a wave mechanics approach to more sophisticated techniques for the description of the properties of metals and alloys.

Electronic Structure and Reactivity of Metal Surfaces

Electronic Structure and Reactivity of Metal Surfaces
Author: E. Derouane
Publisher: Springer Science & Business Media
Total Pages: 636
Release: 2013-03-09
Genre: Science
ISBN: 1468427962

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Imagine that a young physicist would approach a granting agen cy and propose to contribute to heterogeneous catalysis by studying the heat conductivity of gases in contact with a hot filament. How would he be received now? How would he have been treated sixty years ago ? Yet, more than sixty years ago, Irving Langmuir, through his study of heat transfer from a tungsten filament, uncovered most of the fundamental ideas which are used to-day by the scientific com munity in pure and applied heterogeneous catalysis. Through his work with what were for the first time "clean" metal surfaces, Langmuir formulated during a period of a little over ten years un til the early thirties, the concepts of chemisorption, monolayer, adsorption sites, adsorption isotherm, sticking probability, cata lytic mechanisms by way of the interaction between chemisorbed spe cies, behavior of non-uniform surfaces and repulsion between adsor bed dipoles. It is fair to say that many of these ideas constituting the first revolution in surface chemistry have since been refined through thousands of investigations. Countless papers have been pu blished on the subject of the Langmuir adsorption isotherm, the Langmuir catalytic kinetics and the Langmuir site-exclusion adsorp tion kinetics. The refinements have been significant. ThE original concepts in their primitive or amended form are used everyday by catalytic chemists and chemical engineers allover the world in their treatment of experimental data, design of reactors or inven tion of new processes.

Electronic Structure of Metal and Alloy Surfaces

Electronic Structure of Metal and Alloy Surfaces
Author: K. H. Johnson
Publisher:
Total Pages: 24
Release: 1978
Genre:
ISBN:

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The electronic structure of metal and alloy surfaces is central to the understanding of the physical and chemical properties of such surfaces. However, progress in calculating surface electronic structure from first principles has lagged behind that of calculating bulk band structure because of the difficulty of applying the conventional band description at an interface. The theoretical study of the electronic structure of finite metallic and bimetallic clusters representing local surface and bulk atomic configurations, including small particles, has the advantage that it can bridge the gap between solid-state band theory and molecular quantum chemistry, thereby permitting the elucidation of surface electronic structure as a function of local atomic arrangement and composition.