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Exploring the pore charge dependence of K(+) and Cl(−) permeation across a graphene monolayer: a molecular dynamics study
Selective permeation through graphene nanopores is attracting increasing interest as an efficient and cost-effective technique for water desalination and purification. In this work, using umbrella sampling and molecular dynamics simulations with constant electric field, we analyze the influence of p...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9065459/ https://www.ncbi.nlm.nih.gov/pubmed/35514713 http://dx.doi.org/10.1039/c9ra03025e |