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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...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2013
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| Materias: | |
| 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 |