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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Auteurs principaux: Félix Mouhat, François-Xavier Coudert, Marie-Laure Bocquet
Format: article
Langue:EN
Publié: Nature Portfolio 2020
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Accès en ligne:https://doaj.org/article/75b4d9f1a85a46b8a14e9614e9bb5e99
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