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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：313/85  |  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：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  
Uncovering the Mechanism Behind the Improved Stability of 2D OrganicInorganic Hybrid Perovskites 期刊论文
Small, 2019, 卷号: 15, 期号: 16
作者:  Z.Shi;  Z.Cao;  X.Sun;  Y.Jia;  D.Li;  L.Cavallo;  U.Schwingenschlogl
浏览  |  Adobe PDF(1655Kb)  |  收藏  |  浏览/下载：409/77  |  提交时间：2020/08/24
Stabilization,Calculations,Convergence of numerical methods,Electronic properties,Perovskite,Perovskite solar cells,Solar cells  
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：266/65  |  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：193/59  |  提交时间：2020/08/24
Dirac cone,perovskites,graphene,density functional theory,total-energy calculations,graphene,insulator  
Research on compliance of compound circular-parabolic hinges 期刊论文
Hongwai yu Jiguang Gongcheng/Infrared and Laser Engineering, 2018, 卷号: 47, 期号: 11
作者:  Zhang, Wei;  Yang, Libao;  Li, Qingya;  Wang, Yan;  Wang, Jing
浏览  |  Adobe PDF(1516Kb)  |  收藏  |  浏览/下载：416/166  |  提交时间：2019/09/17
Hinges  Calculations  Finite element method  Structural design  
Directional Forces by Momentumless Excitation and Order-to-Order Transition in Peierls-Distorted Solids The Case of GeTe 期刊论文
Physical Review Letters, 2018, 卷号: 120, 期号: 18, 页码: 5
作者:  Chen, N. K.;  Li, X. B.;  Bang, J.;  Wang, X. P.;  Han, D.;  West, D.;  Zhang, S. B.;  Sun, H. B.
浏览  |  Adobe PDF(1679Kb)  |  收藏  |  浏览/下载：651/140  |  提交时间：2019/09/17
total-energy calculations  phase-change materials  wave basis-set  optical-properties  efficient  pseudopotentials  ferroelectrics  phonons  gap  Physics  
Pressure-induced K-Λ Crossover of Excitons Emissions in Monolayer WSe2 and MoSe2 期刊论文
CHINESE JOURNAL OF LUMINESCENCE, 2018, 卷号: 39, 期号: 12, 页码: 1647-1653
作者:  Fu, Xin-Peng;  Zhou, Qiang;  Qin, Li;  Li, Fang-Fei;  Fu, Xi-Hong
浏览  |  Adobe PDF(2384Kb)  |  收藏  |  浏览/下载：542/147  |  提交时间：2019/09/17
Tungsten compounds  Calculations  Excitons  Fluorescence spectroscopy  Molybdenum compounds  Monolayers  Selenium compounds  
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：738/148  |  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