Hydrogen cyanide catalytic hydrolysis mechanism by Al-doped graphene: A density functional theory study

被引：0
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作者：
Fen Yang
Senlin Tian
Ping Ning
Borui Wang
Yangcun Xiang
Xin Song
Hao Yang
机构：
[1] Kunming University of Science and Technology,Faculty of Environmental Science and Engineering
来源：
Journal of Molecular Modeling | 2024年 / 30卷
关键词：
Hydrogen cyanide; Catalytic hydrolysis; Al-doped graphene; Reaction mechanism; Density functional theory;
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