| Literature DB >> 18067341 |
J A Rodriguez1, F Viñes, F Illas, P Liu, Y Takahashi, K Nakamura.
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.Entities:
Year: 2007 PMID: 18067341 DOI: 10.1063/1.2814246
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488