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Excitation to defect-bound band edge states in two-dimensional semiconductors and its effect on carrier transport 期刊论文
Npj Computational Materials, 2019, 卷号: 5, 页码: 6
作者:  D.Wang;  D.Han;  D.West;  N.K.Chen;  S.Y.Xie;  W.Q.Tian;  V.Meunier
浏览  |  Adobe PDF(1537Kb)  |  收藏  |  浏览/下载:120/43  |  提交时间:2020/08/24
total-energy calculations,mos2,Chemistry,Materials Science  
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:159/44  |  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  
How Does Iridium(III) Photocatalyst Regulate Nickel(II) Catalyst in Metallaphotoredox-Catalyzed C-S Cross-Coupling? Theoretical and Experimental Insights 期刊论文
Acs Catalysis, 2019, 卷号: 9, 期号: 5, 页码: 3858-3865
作者:  H.Ren;  G.F.Li;  B.Zhu;  X.D.Lv;  L.S.Yao;  X.L.Wang;  Z.M.Su
浏览  |  Adobe PDF(3229Kb)  |  收藏  |  浏览/下载:149/48  |  提交时间:2020/08/24
C-S cross-coupling,photoredox catalysis,iridium,nickel,density,functional calculations,Chemistry  
A simple rule for finding Dirac cones in bilayered perovskites 期刊论文
Chinese Physics B, 2019, 卷号: 28, 期号: 7, 页码: 4
作者:  X.J.Chen;  L.Liu;  D.Z.Shen
浏览  |  Adobe PDF(2105Kb)  |  收藏  |  浏览/下载:113/37  |  提交时间:2020/08/24
Dirac cone,perovskites,graphene,density functional theory,total-energy calculations,graphene,insulator