Chemisorption of Hydroxide on 2D Materials from DFT Calculations: Graphene versus Hexagonal Boron Nitride
作者： Benoit Grosjean , Clarisse Pean , Alessandro Siria , Lydéric Bocquet , Rodolphe Vuilleumier
DOI: 10.1021/ACS.JPCLETT.6B02248
关键词:
摘要: … in the DFT modeling permits us to discriminate both materials … We note in passing an alternative way to model the … two materials are robust against different modeling schemes …
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