Metal-Surface Reaction Energetics - Theory & Applications To Heterogeneous Catalysis, Chemisorption & Surface Diffusion
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品牌: Evgeny Shustorovich
基本信息出版社:Wiley-VCH; 1 (1991年10月22日)精装:232页正文语种:英语ISBN:0471187453条形码:9780471187455商品尺寸:61.7 x 41.1 x 4.3 cm商品重量:535 gASIN:0471187453商品描述内容简介This book summarizes the major developments in the theory of reaction energetics on metal surfaces and its applications to technically important phenomena. Reaction Energies on Metal Surfaces focuses on the ways of calculating the heats of adsorption and reaction activation barriers and how these energetics determine the diffusion of adsorbed species and their chemical reactivity revealing in dissociation, recombination and disproportionation.
Active researchers in the field provide a thorough coverage of the subject providing both theorists and experimentalists with a mutual understanding of the many diverse phenomena and techniques which are so critical for the steady progress of this field.目录Preface
Contributors
1. Cluster Modeling of Chemisorption Energetics
Per E. M. Siegbahn and Ulf Wahlgren
I. Introduction
II. The Cluster Model: Use of One-Electron Effective Core Potentials
III.Energy Decomposition of the Surface Chemical Bond
IV. Cluster Convergence
V. Atomic Chemisorption: Examples
VI. Molecular Chemisorption: Examples
VII. Chemical Reactions: Examples
VIII. Conclusions
References
2. Thermochemical Methods for Reaction Energetics on Metal Surfaces
Jay B. Benziger
I. Introduction
II. Thermodynamics of Adsorption and Reaction
III. Estimation of Surface Bond Energies
IV. Enthalpies of Formation of Adsorbed Molecular Species
V. Thermodynamic Constraints for Surface Reactions
VI. Activation Barriers for Surface Reactions
VII. Conclusions
References
3. Surface Diffusion of Atomic and Molecular Adsorbates
Roger C. Baetzold
I. Introduction
II. Experimental Diffusion Data
III. Models Useful at Low Coverage
IV. Models Treating Interactions between Adsorbate Species
V. Summary
References
4. Disssociative Chemisorption of Diatomic Molecules
David Halstead and Stephen Holloway
I. Introduction
II. Dissociative Adsorption of Hydrogen: Rotation, Vibration and Diffraction
III. Diffraction of H_2 from Reactive Metal Surfaces
IV. Vibrational Effects and Barrier Topology in H_2 Dissociation
V. Summary
References
5. Relationship of Reaction Energetics to the Mechanism and Kinetics of Heterogeneously Catalyzed Reactions
Alexis T. Bell
I. Introduction
II. Calculations of Reaction Energetics
III. Bond Order Conservation-Morse Potential Approach
IV. Use of Reaction Energetics in Defining Reaction Mechanisms
V. Relationship of Reaction Energetics to Reaction Dynamics
VI. Conclusions
References
Index
