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A Comprehensive Study of the Bridge Site and Substrate Relaxation Asymmetry for Methanethiol Adsorption on Au(111) at Low Coverage

[Image: see text] We use dispersion-corrected density functional theory to explore the bridge-site asymmetry for methanethiol adsorbed on Au(111) with two different S–C bond orientations. We attribute the asymmetry to the intrinsic character of the Au(111) surface rather than the adsorbate. The pref...

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Detalles Bibliográficos
Autores principales:	Bhattacharya, Soumya, Speyer, Gil, Ferry, David K., Bumm, Lloyd A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7450628/ https://www.ncbi.nlm.nih.gov/pubmed/32875222 http://dx.doi.org/10.1021/acsomega.0c02328

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