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Adsorption of gold on TiC(001): Au-C interactions and charge polarization
J A Rodriguez1, F Viñes, F Illas
1Departament de Química Física and Institut de Recerca de Química Teòrica i Computacional, Universitat de Barcelona and Parc Científic de Barcelona, C/Martí i Franquès 1, 08028 Barcelona, Spain. rodrigez@bnl.gov
Abstract:
High-resolution photoemission and first-principles density-functional slab calculations were used to study the adsorption of gold on a TiC(001) surface. A positive shift in the binding energy of the C 1s core level is observed after the deposition of Au on the metal carbide surface. The results of the density-functional calculations corroborate the formation of Au-C bonds. In general, the bond between Au and the TiC(001) surface exhibits very little ionic character, but there is a substantial polarization of electrons around Au that affects its chemical properties.
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