Efficient hydrogen storage in defective graphene and its mechanical stability: A combined density functional theory and molecular dynamics simulation study
出版年份 2020 全文链接
标题
Efficient hydrogen storage in defective graphene and its mechanical stability: A combined density functional theory and molecular dynamics simulation study
作者
关键词
Hydrogenated defective graphene, Exothermic H, 2, desorption, Density functional theory, Molecular dynamics simulations, Activation barrier, Tensile strength
出版物
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 46, Issue 7, Pages 5485-5494
出版商
Elsevier BV
发表日期
2020-12-03
DOI
10.1016/j.ijhydene.2020.11.068
参考文献
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