Chemisorption and Reactivity on Supported Clusters and Thin Films:: Towards an Understanding of Microscopic Processes in Catalysis
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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INTRODUCTION TO HETEROGENEOUS CATALYSIS
THIN FILMS AS MODEL CATALYSTS
MORPHOLOGY ADSORPTION AND REACTIVITY
THE GROWTH AND STABILITY OF ULTRATHIN FILMS ON METAL AND OXIDE SURFACES
A Surface Science approach
SUPPORTED CLUSTERS STRUCTURE REACTIVITY AND MICROSCOPIC PROCESSES IN CATALYSIS
QUANTITATIVE DETERMINATION OF MOLECULAR ADSORBATE STRUCTURES
THE STRUCTURE AND REACTIVITY OF TiO2110 SUPPORTED PALLADIUM AND RHODIUM
THEORY OF ADSORPTION AND SURFACE REACTIONS
DENSITY FUNCTIONAL CLUSTER CALCULATIONS ON METAL DEPOSITION AT OXIDE SURFACES
THEORY OF HETEROGENEOUS CATALYTIC REACTIVITY USING THE CLUSTER APPROXIMATION
STRUCTURE ADSORPTION AND REACTIVITY
THEORETICAL MODELLING OF CHEMISORPTION AND REACTIONS ON METALOXIDE SURFACES
STABILITY OF POLAR OXIDE SURFACES
COMPUTER SIMULATION OF STRUCTURAL DEFECT AND SURFACE PROPERTIES OF SOLIDS
A structural probe for nearsurface atomic layers
COADSORPTION ON METALOXIDE CRYSTAL SURFACES
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Chemisorption and Reactivity on Supported Clusters and Thin Films:: Towards ...
R.M. Lambert,Gianfranco Pacchioni
No preview available - 2012
activity adsorbed adsorption annealing atoms azimuthal band binding energy bond bulk calculations carbonyl clusters Catal catalysts charge Chem chemical chemisorption cluster models computed coordination coverage curves d band defects density density functional theory deposited desorption diffraction dipole dissociation effects electronic structure electrostatic epitaxial EXAFS experimental facets Figure formation frequency Freund FT-RAIRS function geometry growth heterogeneous catalysis hydroformylation hydrogen hydrogenolysis interaction interface ionic ions kinetic lattice layer LEED Lett metal atoms metal clusters metal surfaces model catalysts molecular molecule nucleation observed obtained orbitals overlayer oxide oxide surfaces oxygen oxygen vacancies Pacchioni Pd clusters peak phase photoelectron Phys polar potential proton reaction reactivity reconstruction rhodium scattering shift shown shows simulation single crystal species spectra spectroscopy studies substrate Supported Clusters Surf Surface Science techniques temperature thin film TiO2 transition metal unit cell valence valence band zeolite