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

Graphene oxide is a rising star among 2D materials, yet its interaction with liquid water remains a fundamentally open question: experimental characterization at the atomic scale is difficult, and modeling by classical approaches cannot properly describe chemical reactivity. Here, we bridge the gap...

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Publicado en:Nat Commun
Autores principales: Mouhat, Félix, Coudert, François-Xavier, Bocquet, Marie-Laure
Formato: Artigo
Lenguaje:Inglês
Publicado: Nature Publishing Group UK 2020
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC7099009/
https://ncbi.nlm.nih.gov/pubmed/32218448
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-020-15381-y
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