Adsorption of gold on TiC(001): Au-C interactions and charge polarization

J Chem Phys. 2007 Dec 7;127(21):211102. doi: 10.1063/1.2814246.

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.