Ab initio study of water anchored in graphene pristine and vacancy-type defects

被引:0
作者
Mariana Zancan Tonel
João Pedro Kleinubing Abal
Solange Binotto Fagan
Marcia Cristina Barbosa
机构
[1] Universidade Franciscana-UFN,
[2] PPGNANO - Postgraduate Program in Nanoscience,undefined
[3] Universidade Federal do Rio Grande do Sul- UFRGS,undefined
[4] Institute of Physics,undefined
来源
Journal of Molecular Modeling | 2023年 / 29卷
关键词
Density functional theory; Carbon nanomaterials; Simulation approach; Water;
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