Understanding the interface between oxides and metals.
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.
Catlow
C Richard A
CR
Davy-Faraday Research Laboratory, The Royal Institution of Great Britain, 21 Albemarle Street, London, UK W1S 4BS. richard@ri.ac.uk
French
Samuel A
SA
Sokol
Alexey A
AA
Alfredsson
Maria
M
Bromley
Stefan T
ST