Density functional theory investigations of surface structure and surface stress in adsorbate layers on Cu, Pd and Ir surfaces
An introduction to surface structure and plane wave density functional theory (DFT) is presented along with theoretical studies of seven adsorbate systems. A new energetically favourable structure of low symmetry is found for furan on Pd(111) that is entirely consistent with previous experimental fi...
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University of Warwick
2012
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.560422 |