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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

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