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First-principles study on OH-functionalized 2D electrides: Ca2NOH and Y2C(OH)(2), promising two-dimensional monolayers for metal-ion batteries 期刊论文
Applied Surface Science, 2019, 卷号: 478, 页码: 459-464
作者:  D.D.Wang;  H.B.Li;  L.L.Zhang;  Z.H.Sun;  D.X.Han;  L.Niu
浏览  |  Adobe PDF(2292Kb)  |  收藏  |  浏览/下载：248/70  |  提交时间：2020/08/24
OH-functionalized 2D electrides,Ca2NOH,Y2C(OH)(2),Adsorption and,diffusion of metal atoms,First-principles study,anode materials,na,electrons,surfaces,li,Chemistry,Materials Science,Physics  
2D Nitrogen-Containing Carbon Material C5N as Potential Host Material for Lithium Polysulfides: A First-Principles Study 期刊论文
Advanced Theory and Simulations, 2019, 卷号: 2, 期号: 2, 页码: 7
作者:  D.D.Wang;  H.B.Li;  L.L.Zhang;  Z.H.Sun;  D.X.Han;  L.Niu
浏览  |  Adobe PDF(1140Kb)  |  收藏  |  浏览/下载：230/63  |  提交时间：2020/08/24
2D nitrogen-containing carbon material,density functional theory,calculations,lithium polysulfides adsorption,graphene,nitride,li,cathode,monolayer,batteries,storage,design,anode,Science & Technology - Other Topics