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Theoretical Insights into the Solvent Polarity Effect on the Quality of Self-Assembled N-Octadecanethiol Monolayers on Cu (111) Surfaces

The effect of solvent polarity on the quality of self-assembled n-octadecanethiol (C(18)SH) on Cu surfaces was systematically analyzed using first-principles calculations. The results indicate that the adsorption energy for C(18)SH on a Cu surface is −3.37 eV, which is higher than the adsorption ene...

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Detalles Bibliográficos
Autores principales:	Hu, Jun, He, Shijun, Zhang, Yaozhong, Ma, Haixia, Zhang, Xiaoli, Chen, Zhong
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017570/ https://www.ncbi.nlm.nih.gov/pubmed/29565816 http://dx.doi.org/10.3390/molecules23040733

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