Do methanethiol adsorbates on the Au(111) surface dissociate?

Abstract

The interaction of methanethiol molecules CH${}_3$SH with the Au(111) surface is investigated, and it is found for the first time that the S-H bond remains intact when the methanethiol molecules are adsorbed on the regular Au(111) surface. However, it breaks if defects are present in the Au(111) surface. At low coverage, the fcc region is favored for S atom adsorption, but at saturated coverage the adsorption energies at various sites are almost iso-energetic. The presented calculations show that a methanethiol layer on the regular Au(111) surface does not dimerize.

4 pages, 2 figures, 4 tables, submitted to Phys. Rev. Lett

References in corpus (1)

• Coverage dependence of the 1-propanol adsorption on the Si(001) surface and fragmentation dynamics

Cited by in corpus (5)

• Origin of negative differential resistance in a strongly coupled single molecule-metal junction device
• Nature of well-defined conductance of amine anchored molecular junctions
• Headgroup dimerization in methanethiol monolayers on the Au(111) surface: a density functional theory study
• The CH3SH molecule deposited on Cu(111) and deprotonation
• How does an external electrical field affect adsorption patterns of thiol and thiolate on the gold substrate ?