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CH3S Adsorption on Au(111): DFT Insights by fakhmsafarov is a document available to read on EtoBox.

This study investigates the adsorption of dimethyl disulfide (CH3S)2 and CH3S on the Au(111) surface using density functional theory (DFT) to understand the structural properties and coverage dependence. The results indicate that the bridge site is the most stable for adsorption, while the dissociative adsorption of dimethyl disulfide is thermodynamically favorable at full coverage. The findings suggest that further analysis, including dispersion forces, is necessary to fully resolve the structural characte

Author

fakhmsafarov

Language

EN