The adsorption and dissociation of water and HF over the surfaces of aluminium oxide polymorphs, a density functional theory study
Quantum mechanical approaches to selecting the most accurate method of calculation for the bulk structure of alpha-alumina. The aluminium terminated {0001} surface is then fully analysed, followed by the hydroxylated {0001} alpha-alumina surface, formed by the Dissociative chemisorption of water. Th...
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Cardiff University
2004
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.583424 |