previously he was at Sandia National Laboratories. His research concerns the energetics and kinetics of the reactions between minerals and aqueous solutions, and in recent work, he has determined rate coefficients for dissociation of Al−O bonds in various dissolved aluminum complexes.
Contents 1 Introductory Lecture: Oxide surfaces Hans-Joachim Freund 33 Ab initio calculations on the Al 2 O 3 (0001) surface Iskander Batyrev, AH Alavi and Michael W. Finnis 45 Ultrathin alumina film Al-sublattice structure, metal island nucleation at terrace point defects, and how hydroxylation affects wetting D. R. Jennison and A. Bogicevic 53 Electronic properties, structure and adsorption at vanadium oxide: density functional theory studies K. Hermann, M. Witko and R. Druzinic 67 The growth of vanadium oxide on alumina and titania single crystal surfaces Robert J. Madix, Jiirgen Biener, Marcus Bauiner and Andreas Dinger 85 General Discussion 105 A study of the electronic, magnetic, structural and dynamic properties of low-dimensional NiO on MgO(lOO) surfaces
This paper reviews our present understanding of the electronic, geometric and chemisorption properties of metal oxide surfaces. It is restricted to experimental and theoretical studies of single-crystal oxide surfaces since only for those systems has it been possible to correlate surface properties with specific site geometry, ligand coordination, defect structure, etc. The geometric structures of the oxide surfaces that have been investigated to date are described in relation to bulk crystal structure and cation ligand coordination. The electronic structure of both perfect and defect surfaces is discussed for the various classes of metal oxides, and similarities and differences in their behaviour are correlated with surface geometry and cation electronic configuration. The chemisorption of several types of atoms and molecules on single-crystal oxide surfaces, both nearly perfect and containing point defects, is reviewed and interpreted in terms of surface electronic and geometric structure. Some recent electronand photon-stimulated desorption results on oxides are also reviewed, as are measurements of surface phonon and plasmon modes.
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