Adsorption of gold on TiC(001): Au-C interactions and charge polarization.
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.
Rodriguez
J A
JA
Departament 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
Viñes
F
F
Illas
F
F
Liu
P
P
Takahashi
Y
Y
Nakamura
K
K