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

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R.M. Lambert, Gianfranco Pacchioni
Springer Science & Business Media, Feb 28, 1997 - Science - 532 pages
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.

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Contents

INTRODUCTION TO HETEROGENEOUS CATALYSIS
1
THIN FILMS AS MODEL CATALYSTS
27
MORPHOLOGY ADSORPTION AND REACTIVITY
61
THE GROWTH AND STABILITY OF ULTRATHIN FILMS ON METAL AND OXIDE SURFACES
105
A Surface Science approach
117
SUPPORTED CLUSTERS STRUCTURE REACTIVITY AND MICROSCOPIC PROCESSES IN CATALYSIS
153
QUANTITATIVE DETERMINATION OF MOLECULAR ADSORBATE STRUCTURES
193
THE STRUCTURE AND REACTIVITY OF TiO2110 SUPPORTED PALLADIUM AND RHODIUM
215
THEORY OF ADSORPTION AND SURFACE REACTIONS
285
DENSITY FUNCTIONAL CLUSTER CALCULATIONS ON METAL DEPOSITION AT OXIDE SURFACES
353
THEORY OF HETEROGENEOUS CATALYTIC REACTIVITY USING THE CLUSTER APPROXIMATION
371
STRUCTURE ADSORPTION AND REACTIVITY
395
THEORETICAL MODELLING OF CHEMISORPTION AND REACTIONS ON METALOXIDE SURFACES
425
STABILITY OF POLAR OXIDE SURFACES
455
COMPUTER SIMULATION OF STRUCTURAL DEFECT AND SURFACE PROPERTIES OF SOLIDS
479
INDEX
523

A structural probe for nearsurface atomic layers
237
COADSORPTION ON METALOXIDE CRYSTAL SURFACES
267

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