Interaction of the (2√3 × 3)rect. Adsorption-Site Basis and Alkyl-Chain Close Packing in Alkanethiol Self-Assembled Monolayers on Au(111): A Molecular Dynamics Study of Alkyl-Chain Conformation

[Image: see text] We show that the adsorption site basis of the (2√3 × 3)rect. phase of n-alkanethiol self-assembled monolayers plays a key role in determining the molecular conformation of the close-packed alkyl chains. Ten proposed reconstructed Au–S interfaces are used to explore the minimized en...

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Detalles Bibliográficos
Autores principales: Bhattacharya, Soumya, Yothers, Mitchell P., Huang, Liangliang, 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/PMC7301571/
https://www.ncbi.nlm.nih.gov/pubmed/32566846
http://dx.doi.org/10.1021/acsomega.0c01111

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7301571/
https://www.ncbi.nlm.nih.gov/pubmed/32566846
http://dx.doi.org/10.1021/acsomega.0c01111

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