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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
Adobe PDF(1140Kb)  |  收藏  |  浏览/下载：253/68  |  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
Adobe PDF(3229Kb)  |  收藏  |  浏览/下载：288/67  |  提交时间：2020/08/24
C-S cross-coupling,photoredox catalysis,iridium,nickel,density,functional calculations,Chemistry  
Stretch/Compress-Modulated Spin Splitting in One-Dimensional Melem Chain with a Helical Structure 期刊论文
Physica Status Solidi-Rapid Research Letters, 2019, 卷号: 13, 期号: 10, 页码: 5
作者:  D.Han;  X.J.Chen;  H.Xu;  C.Jiao;  J.L.Xu;  K.X.Li;  L.Liu
浏览  |  Adobe PDF(249Kb)  |  收藏  |  浏览/下载：262/106  |  提交时间：2020/08/24
density functional theory,helical structures,molecule chains,spin-orbit coupling,spin splitting,rashba,nanowire,Materials Science,Physics  
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：214/73  |  提交时间：2020/08/24
Dirac cone,perovskites,graphene,density functional theory,total-energy calculations,graphene,insulator  
n-type Rashba spin splitting in a bilayer inorganic halide perovskite with external electric field 期刊论文
Journal of Physics-Condensed Matter, 2018, 卷号: 30, 期号: 26, 页码: 5
作者:  Chen, X. J.;  Liu, L.;  Shen, D. Z.
浏览  |  Adobe PDF(2022Kb)  |  收藏  |  浏览/下载：535/152  |  提交时间：2019/09/17
Rashba spin-orbit coupling  halide perovskite  density functional  theory  external electric field  cesium lead halide  energy  plane  gas  Physics  
Structural and Electronic Properties of Inorganic Mixed Halide Perovskites 期刊论文
Physica Status Solidi-Rapid Research Letters, 2018, 卷号: 12, 期号: 8, 页码: 6
作者:  Chen, X. J.;  Han, D.;  Su, Y.;  Zeng, Q. H.;  Liu, L.;  Shen, D. Z.
浏览  |  Adobe PDF(867Kb)  |  收藏  |  浏览/下载：863/159  |  提交时间：2019/09/17
band structure  density functional theory  inorganic mixed halide  perovskites  optical bowing parameter  cesium lead halide  light-emitting-diodes  total-energy calculations  effective masses  anion-exchange  nanocrystals  efficiency  cspbx3  photoluminescence  semiconductor  Materials Science  Physics