Abstract
We studied the adsorption state of dimethyl disulfide and methylthiolate on the Au(111) surface by means of the density functional theory (DFT) within a generalized gradient approximation and experimental high-resolution electron energy loss spectroscopy (HREELS) techniques. It turns out that the methylthiolate adsorption is more stable than the dimethyl disulfide adsorption and that the most stable adsorption site for the methylthiolate is the bridge site slightly off-centered towards the fcc-hollow site with its S–C bond tilted from the surface normal by 53°. HREELS results are in excellent agreement with the DFT results, providing very strong support to the depicted adsorption scenario.
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Dates
Type | When |
---|---|
Created | 23 years, 1 month ago (July 26, 2002, 10:17 a.m.) |
Deposited | 2 years, 1 month ago (July 8, 2023, 3:47 p.m.) |
Indexed | 3 days, 20 hours ago (Aug. 29, 2025, 6 a.m.) |
Issued | 24 years, 4 months ago (May 1, 2001) |
Published | 24 years, 4 months ago (May 1, 2001) |
Published Print | 24 years, 4 months ago (May 1, 2001) |
@article{Hayashi_2001, title={Adsorption state of dimethyl disulfide on Au(111): Evidence for adsorption as thiolate at the bridge site}, volume={114}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1360245}, DOI={10.1063/1.1360245}, number={17}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Hayashi, Tomohiro and Morikawa, Yoshitada and Nozoye, Hisakazu}, year={2001}, month=may, pages={7615–7621} }