Chemisorption and Reactivity on Supported Clusters and Thin Films:: Towards an Understanding of Microscopic Processes in Catalysis

ISBN-13: 9789048148073 / Angielski / Miękka / 2010 / 532 str.

R. M. Lambert; Gianfranco Pacchioni

Opis

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.

Spis treści

Preface. Introduction to Heterogeneous Catalysis; R.M. Lambert. Thin Films as Model Catalysts; D.R. Rainer, D.W. Goodman. Metal Deposits on Thin Well Ordered Oxide Films: Morphology, Adsorption and Reactivity; M. Bäumer, et al. The Growth and Stability of Ultrathin Films on Metal and Oxide Surfaces; T.E. Madey. Size Effects in Heterogeneous Catalysis: A Surface Science Approach; C. Henry, et al. Supported Clusters, Structure, Reactivity and Microscopic Processes in Catalysis; M. Ichikawa. Quantitative Determination of Molecular Adsorbate Structures; D.P. Woodruff. The Structure and Reactivity of TiO2(110) Supported Palladium and Rhodium; B.E. Hayden. Angle-Scanned Photoelectron Diffraction: A Structural Probe for Near-Surface: Atomic Layers; G. Granozzi, M. Sambi. Co-Adsorption on Metal-Oxide Crystal Surfaces: Cases of CO/Cu/ZnO(0001) and CO2/Na/TiO2(110); P.J. Møller. Theory of Adsorption and Surface Reactions; B. Hammer, J.K. Nørskov. Density Functional Cluster Calculations on Metal Deposition at Oxide Surfaces; N. Rösch, G. Pacchioni. Theory of Heterogeneous Catalytic Reactivity Using the Cluster Approximation; R.A. van Santen. Cluster Modelling of Oxide Surfaces: Structure, Adsorption and Reactivity; G. Pacchioni. Theoretical Modelling of Chemisorption and Reactions on Metal-Oxide Surfaces; L.G.M. Pettersson, et al. Stability of Polar Oxide Surfaces: Oxygen Vacancies and Non-Stoichiometric Reconstructions; C. Noguera, et al. Computer Simulation of Structural, Defect and Surface Properties of Solids; C.R.A. Catlow, et al. Index.