Ion Enrichment on the Hydrophobic Carbon-based Surface in Aqueous Salt Solutions due to Cation-π Interactions

By incorporating cation-π interactions to classic all-atoms force fields, we show that there is a clear enrichment of Na(+) on a carbon-based π electron-rich surface in NaCl solutions using molecular dynamics simulations. Interestingly, Cl(−) is also enriched to some extend on the surface due to the...

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Detalles Bibliográficos
Autores principales: Shi, Guosheng, Liu, Jian, Wang, Chunlei, Song, Bo, Tu, Yusong, Hu, Jun, Fang, Haiping
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3853681/
https://www.ncbi.nlm.nih.gov/pubmed/24310448
http://dx.doi.org/10.1038/srep03436

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3853681/
https://www.ncbi.nlm.nih.gov/pubmed/24310448
http://dx.doi.org/10.1038/srep03436

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