Structure and Reactivity of Surfaces

Structure and Reactivity of Surfaces PDF Author: C. Morterra
Publisher: Elsevier
ISBN: 0080887430
Category : Technology & Engineering
Languages : en
Pages : 985

Get Book Here

Book Description
Between the area known as surface science (which mainly deals with single crystal surfaces) and the vast area of the surface properties of dispersed solids (knowledge of which is widely applied in catalysis and materials science) there is still a remarkably wide, although gradually decreasing, gap. Because fundamental physico-chemical problems are involved, this borderline area needs to be explored. With this objective, the Trieste meeting brought together specialists with a variety of origins and backgrounds, with the aim of stimulating the growth of our knowledge in this area.This proceedings volume contains ninety-three papers, comprising plenary lectures, short communications, and poster contributions on the applications of physical and theoretical methods to perfect and dispersed (microcrystalline and amorphous) metals, oxides, and mixed systems. Special emphasis is given to metal-support interfaces.The book thus provides a wealth of up-to-date information on a topic of current interest which will be of value to researchers who use chemical and/or physical methods for the study of surfaces.

Structure and Reactivity of Surfaces

Structure and Reactivity of Surfaces PDF Author: C. Morterra
Publisher: Elsevier
ISBN: 0080887430
Category : Technology & Engineering
Languages : en
Pages : 985

Get Book Here

Book Description
Between the area known as surface science (which mainly deals with single crystal surfaces) and the vast area of the surface properties of dispersed solids (knowledge of which is widely applied in catalysis and materials science) there is still a remarkably wide, although gradually decreasing, gap. Because fundamental physico-chemical problems are involved, this borderline area needs to be explored. With this objective, the Trieste meeting brought together specialists with a variety of origins and backgrounds, with the aim of stimulating the growth of our knowledge in this area.This proceedings volume contains ninety-three papers, comprising plenary lectures, short communications, and poster contributions on the applications of physical and theoretical methods to perfect and dispersed (microcrystalline and amorphous) metals, oxides, and mixed systems. Special emphasis is given to metal-support interfaces.The book thus provides a wealth of up-to-date information on a topic of current interest which will be of value to researchers who use chemical and/or physical methods for the study of surfaces.

Electronic Structure and Reactivity of Metal Surfaces

Electronic Structure and Reactivity of Metal Surfaces PDF Author: E. Derouane
Publisher: Springer Science & Business Media
ISBN: 1468427962
Category : Science
Languages : en
Pages : 636

Get Book Here

Book Description
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.

Chemical Bonding at Surfaces and Interfaces

Chemical Bonding at Surfaces and Interfaces PDF 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

Effects of Electric Fields on Structure and Reactivity

Effects of Electric Fields on Structure and Reactivity PDF Author: Sason Shaik
Publisher: Royal Society of Chemistry
ISBN: 1839163046
Category : Science
Languages : en
Pages : 447

Get Book Here

Book Description
Electric-field-mediated chemistry is an emerging topic that is rapidly growing and fanning out in many directions. It involves theoretical and experimental aspects, as well as intense interplay between them, including breakthrough achievements such as the proof-of-principle that a Diels–Alder reaction, which involves two simultaneous C–C bond making events, can be catalysed or inhibited simply by changing the direction of an oriented external-electric field (OEEF). This productive interplay between the theoretical and experimental branches of chemistry is continuing, and gradually defining a new sub-field wherein various sources of electric fields, whether external or built-in and designed, or even surface induced fields (plasmons), are brought to bear on chemical reactions, molecular structures, and nano-systems, leading to control of reactivity, selectivity, chirality, molecular orientations, changes in structure, and in dynamics. Written by leaders in the field, Effects of Electric Fields on Structure and Reactivity is the first book on this exciting topic. Starting with an overview of the theory behind – and demonstrations of the effect of – electric fields on structure and reactivity, this accessible reference work aims to encourage those new to the field to consider harnessing these effects in their own work. Covering applications and recent theoretical developments, it is a useful resource for theoretical chemists and experimentalists alike.

Atomic and Electronic Structure of Surfaces

Atomic and Electronic Structure of Surfaces PDF Author: Michel Lannoo
Publisher: Springer Science & Business Media
ISBN: 3662027143
Category : Science
Languages : en
Pages : 267

Get Book Here

Book Description
Surfaces and interfaces play an increasingly important role in today's solid state devices. In this book the reader is introduced, in a didactic manner, to the essential theoretical aspects of the atomic and electronic structure of surfaces and interfaces. The book does not pretend to give a complete overview of contemporary problems and methods. Instead, the authors strive to provide simple but qualitatively useful arguments that apply to a wide variety of cases. The emphasis of the book is on semiconductor surfaces and interfaces but it also includes a thorough treatment of transition metals, a general discussion of phonon dispersion curves, and examples of large computational calculations. The exercises accompanying every chapter will be of great benefit to the student.

Electronic Structure of Disordered Alloys, Surfaces and Interfaces

Electronic Structure of Disordered Alloys, Surfaces and Interfaces PDF Author: Ilja Turek
Publisher: Springer Science & Business Media
ISBN: 9780792397984
Category : Science
Languages : en
Pages : 340

Get Book Here

Book Description
An introduction to the study of basic electronic and magnetic properties of complex materials such as alloys, their surfaces, interfaces, and extended defects. Part I explores theoretical background, with chapters on the linear muffin-tin orbital method, Green function method, coherent potential approximation, self- consistency within atomic sphere approximation, and relativistic theory. Part II is devoted to applications including magnetic properties, numerical implementation, and interatomic interactions in alloys. Of interest to researchers in solid state theory, surface science, and computational materials research. Annotation copyrighted by Book News, Inc., Portland, OR.

Characterization of Solid Materials and Heterogeneous Catalysts, 2 Volume Set

Characterization of Solid Materials and Heterogeneous Catalysts, 2 Volume Set PDF Author: Michel Che
Publisher: John Wiley & Sons
ISBN: 3527326871
Category : Technology & Engineering
Languages : en
Pages : 1313

Get Book Here

Book Description
This two-volume book provides an overview of physical techniques used to characterize the structure of solid materials, on the one hand, and to investigate the reactivity of their surface, on the other. Therefore this book is a must-have for anyone working in fields related to surface reactivity. Among the latter, and because of its most important industrial impact, catalysis has been used as the directing thread of the book. After the preface and a general introduction to physical techniques by M. Che and J.C. Vedrine, two overviews on physical techniques are presented by G. Ertl and Sir J.M. Thomas for investigating model catalysts and porous catalysts, respectively. The book is organized into four parts: Molecular/Local Spectroscopies, Macroscopic Techniques, Characterization of the Fluid Phase (Gas and/ or Liquid), and Advanced Characterization. Each chapter focuses upon the following important themes: overview of the technique, most important parameters to interpret the experimental data, practical details, applications of the technique, particularly during chemical processes, with its advantages and disadvantages, conclusions.

Metal Clusters at Surfaces

Metal Clusters at Surfaces PDF Author: Karl-Heinz Meiwes-Broer
Publisher: Springer Science & Business Media
ISBN: 9783540665625
Category : Science
Languages : en
Pages : 332

Get Book Here

Book Description
Numerous experiments and calculations have shown that isolated metal clusters possess many interesting features, quite different from those known from surface and solid- state physics or from atomic and molecular physics. The technological exploitation of these new properties, e.g. in miniature electronic or mechanical components, requires the cluster to be brought into an environment such as an encapsulating matrix or a surface. Due to the interaction with the contact medium, the properties of the 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.

Catalysis by Materials with Well-Defined Structures

Catalysis by Materials with Well-Defined Structures PDF Author: Zili Wu
Publisher: Academic Press
ISBN: 0128013400
Category : Technology & Engineering
Languages : en
Pages : 393

Get Book Here

Book Description
Catalysis by Materials with Well-Defined Structures examines the latest developments in the use of model systems in fundamental catalytic science. A team of prominent experts provides authoritative, first-hand information, helping readers better understand heterogeneous catalysis by utilizing model catalysts based on uniformly nanostructured materials. The text addresses topics and issues related to material synthesis, characterization, catalytic reactions, surface chemistry, mechanism, and theoretical modeling, and features a comprehensive review of recent advances in catalytic studies on nanomaterials with well-defined structures, including nanoshaped metals and metal oxides, nanoclusters, and single sites in the areas of heterogeneous thermal catalysis, photocatalysis, and electrocatalysis. Users will find this book to be an invaluable, authoritative source of information for both the surface scientist and the catalysis practitioner - Outlines the importance of nanomaterials and their potential as catalysts - Provides detailed information on synthesis and characterization of nanomaterials with well-defined structures, relating surface activity to catalytic activity - Details how to establish the structure-catalysis relationship and how to reveal the surface chemistry and surface structure of catalysts - Offers examples on various in situ characterization instrumental techniques - Includes in-depth theoretical modeling utilizing advanced Density Functional Theory (DFT) methods

Crystallography and Surface Structure

Crystallography and Surface Structure PDF Author: Klaus Hermann
Publisher: John Wiley & Sons
ISBN: 3527339701
Category : Science
Languages : en
Pages : 446

Get Book Here

Book Description
A valuable learning tool as well as a reference, this book provides students and researchers in surface science and nanoscience with the theoretical crystallographic foundations, which are necessary to understand local structure and symmetry of bulk crystals, including ideal and real single crystal surfaces. The author deals with the subject at an introductory level, providing numerous graphic examples to illustrate the mathematical formalism. The book brings together and logically connects many seemingly disparate structural issues and notations used frequently by surface scientists and nanoscientists. Numerous exercises of varying difficulty, ranging from simple questions to small research projects, are included to stimulate discussions about the different subjects. From the contents: Bulk Crystals, Three-Dimensional Lattices - Crystal Layers, Two-Dimensional Lattices, Symmetry - Ideal Single Crystal Surfaces - Real Crystal Surfaces - Adsorbate layers - Interference Lattices - Chiral Surfaces - Experimental Analysis of Real Crystal Surfaces - Nanoparticles and Crystallites - Quasicrystals - Nanotubes