Structure and chemistry of graphene oxide in liquid water from first principles

Graphene oxide holds great promise for water purification applications, though its chemical reactivity in water is yet to be clarified. Here the authors show by first principles molecular dynamics that graphene oxide structures with correlated functional groups and regions of pristine graphene are t...

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Autores principales: Félix Mouhat, François-Xavier Coudert, Marie-Laure Bocquet
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2020
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Acceso en línea:https://doaj.org/article/75b4d9f1a85a46b8a14e9614e9bb5e99
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