Capturing charge and size effects of ions at the graphene–electrolyte interface using polarizable force field simulations

We present a systematic investigation capturing the charge and size effects of ions interacting with a graphene surface using polarizable simulations. Our results utilizing the Drude polarizable force field (FF) for ions, water and graphene surfaces, show that the graphene parameters previously deve...

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Detalles Bibliográficos
Autores principales: H., Hemanth, Mewada, Rohan, Mallajosyula, Sairam S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: RSC 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9891073/
https://www.ncbi.nlm.nih.gov/pubmed/36756506
http://dx.doi.org/10.1039/d2na00733a

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9891073/
https://www.ncbi.nlm.nih.gov/pubmed/36756506
http://dx.doi.org/10.1039/d2na00733a

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