Understanding the interface between oxides and metals

Catlow, C.R.A. and French, S.A. and Sokol, A.A. and Alfredsson, M. and Bromley, S.T. (2003) Understanding the interface between oxides and metals. Faraday Discussions, 124 . pp. 185-203. ISSN 1364-5498. (The full text of this publication is not available from this repository)

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Abstract

Computational methods based on DFT are applied to modelling structure and bonding in oxide supported metals. We examined three systems of contemporary interest: Cu/ZnO, Pd,Pt/ZrO2 and bimetallic transition metal clusters on silica supports.

Item Type: Article
Additional information: ISI Document Delivery No.: 710MW Times Cited: 11 Cited Reference Count: 74
Uncontrolled keywords: METHANOL SYNTHESIS CATALYSTS ELECTRONIC-STRUCTURE CALCULATIONS TERMINATED ZNO(0001) SURFACE DENSITY-FUNCTIONAL THEORY GAUSSIAN-BASIS SETS CUBIC ZIRCONIA ABSORPTION-SPECTROSCOPY POPULATION ANALYSIS SPIN-RESONANCE ACTIVE-SITES
Subjects: Q Science
Divisions: Faculties > Science Technology and Medical Studies > School of Physical Sciences > Functional Materials Group
Depositing User: Maria Alfredsson
Date Deposited: 05 Sep 2008 11:22
Last Modified: 14 Jan 2010 14:17
Resource URI: http://kar.kent.ac.uk/id/eprint/4771 (The current URI for this page, for reference purposes)
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