DFT study of charge-controlled mechanism of water molecule dissociation on vacancy defected boron nitride nanosheets.

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第一作者： Reyhan,Omidirad

第一单位： Department of Chemistry, University of Kurdistan, Sanandaj, Iran; Research Center of Nanotechnology, University of Kurdistan, 66177-15175, Sanandaj, Iran.

作者： Reyhan,Omidirad ^[1] ; Khaled,Azizi ^[2]

作者单位： Department of Chemistry, University of Kurdistan, Sanandaj, Iran; Research Center of Nanotechnology, University of Kurdistan, 66177-15175, Sanandaj, Iran. ^[1] Department of Chemistry, University of Kurdistan, Sanandaj, Iran; Research Center of Nanotechnology, University of Kurdistan, 66177-15175, Sanandaj, Iran. Electronic address: k.azizi@uok.ac.ir. ^[2]

关键词 Charge controllable mechanism Density functional theory (DFT)Vacancy defected boron nitride nanosheets Water dissociation

主题词硼化合物(Boron Compounds);纳米结构(Nanostructures);水(Water)

DOI 10.1016/j.jmgm.2019.107448

PMID 31518949

发布时间 2020-06-22

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