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Probing the role of silver and gold based double perovskite halide oxides for optoelectronic and photocatalytic applications 期刊论文
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2025, 卷号: 190, 页码: 11
作者:  Rahman, Attaur;  Abid, Aqsa;  Haneef, Muhammad;  Amin, Bin;  Elmasry, Yasser
收藏  |  浏览/下载：2/0  |  提交时间：2025/04/27
Double perovskite halide oxides  Optoelectronic  Photocatalytic applications  Density functional theory  Mechanical properties  Direct band gap  
Revisiting the effect of aspect ratio on shear band evolution by hydrostatic-stress embedded free-volume theory 期刊论文
JOURNAL OF NON-CRYSTALLINE SOLIDS, 2020, 卷号: 531, 页码: 8
作者:  Zhao, J. X.;  Zhang, Z. F.;  Chen, Y. F.;  Gong, J. M.
收藏  |  浏览/下载：123/0  |  提交时间：2021/02/02
Metallic glass  Shear band  Aspect ratio  Plasticity  Hydrostatic-stress embedded free-volume theory  
Oxygen Bridges between NiO Nanosheets and Graphene for Improvement of Lithium Storage 期刊论文
Acs Nano, 2012, 卷号: 6, 期号: 4, 页码: 3214-3223
作者:  G. M. Zhou;  D. W. Wang;  L. C. Yin;  N. Li;  F. Li;  H. M. Cheng
收藏  |  浏览/下载：149/0  |  提交时间：2013/02/05
Graphene  Nio Nanosheets  Oxygen Bridge  Oxygen Functional Groups  Density Functional Theory  Lithium Ion Batteries  Li-ion Batteries  Negative-electrode Materials  Augmented-wave Method  Minimum Energy Paths  Elastic Band Method  Anode Material  Nanostructured Materials  Reversible Capacity  Cyclic Performance  Saddle-points  
The first-principles calculations for the elastic properties of Zr2Al under compression 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2011, 卷号: 509, 期号: 3, 页码: 769-774
作者:  Yuan, Xiao-Li;  Wei, Dong-Qing;  Chen, Xiang-Rong;  Zhang, Qing-Ming;  Gong, Zi-Zheng
收藏  |  浏览/下载：99/0  |  提交时间：2021/02/02
Elastic properties  Electronic band structure  Density functional theory  Zr2Al  
The first-principles calculations for the elastic properties of Zr2Al under compression 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2011, 卷号: 509, 期号: 3, 页码: 769-774
作者:  Yuan, Xiao-Li;  Wei, Dong-Qing;  Chen, Xiang-Rong;  Zhang, Qing-Ming;  Gong, Zi-Zheng
收藏  |  浏览/下载：80/0  |  提交时间：2021/02/02
Elastic properties  Electronic band structure  Density functional theory  Zr2Al  
The first-principles calculations for the elastic properties of Zr(2)Al under compression 期刊论文
Journal of Alloys and Compounds, 2011, 卷号: 509, 期号: 3, 页码: 769-774
作者:  X. L. Yuan;  D. Q. Wei;  X. R. Chen;  Q. M. Zhang;  Z. Z. Gong
Adobe PDF(322Kb)  |  收藏  |  浏览/下载：116/0  |  提交时间：2012/04/13
Elastic Properties  Electronic Band Structure  Density Functional  Theory  Zr(2)Al  Physical-properties  Thermal-expansion  Single-crystals  Ab-initio  Constants  Temperature  Aluminum  System  Alloys  Pressures  
First-principles calculations for electronic and optical properties of the zinc-blende structured BeS compound under pressure 期刊论文
Chinese Physics B, 2009, 卷号: 18, 期号: 10, 页码: 4443-4448
作者:  H. Yang;  J. Chang;  Z. Li;  X. R. Chen
Adobe PDF(858Kb)  |  收藏  |  浏览/下载：138/0  |  提交时间：2012/04/13
Density Functional Theory  Electronic Structure  Optical Properties  High Pressure  Bes  Beryllium Chalcogenides Bes  Ground-state Properties  Phase-transition  Band-structure  Ab-initio  Thermodynamic Properties  Elastic Properties  Bete  Approximation  Constants  
Electronic and magnetic properties of graphene absorbed with S atom: A first-principles study 期刊论文
Journal of Applied Physics, 2009, 卷号: 105, 期号: 10
作者:  Y. G. Zhou;  X. T. Zu;  F. Gao;  H. Y. Xiao;  H. F. Lv
Adobe PDF(691Kb)  |  收藏  |  浏览/下载：99/0  |  提交时间：2012/04/13
Adsorption  Band Structure  Density Functional Theory  Graphene  Magnetic Moments  Surface Energy  Surface Potential  Exchange  
Effect of doping with Co and/or Cu on electronic structure and optical properties of ZnO 期刊论文
Journal of Applied Physics, 2009, 卷号: 105, 期号: 4
作者:  M. Xu;  H. Zhao;  K. Ostrikov;  M. Y. Duan;  L. X. Xu
Adobe PDF(541Kb)  |  收藏  |  浏览/下载：100/0  |  提交时间：2012/04/13
Ab Initio Calculations  Cobalt  Copper  Density Functional Theory  Dielectric Function  Electronic Structure  Energy Gap  Fermi Level  Ferromagnetism  Ii-vi Semiconductors  Magnetoelectronics  Red Shift  Reflectivity  Refractive Index  Semiconductor Doping  Semimagnetic  Semiconductors  Wide Band Gap Semiconductors  Zinc Compounds  Ferromagnetic Properties  Magnetic Semiconductors  Thin-films  Doped Zno  
Electronic and Optical Properties of Rock-Salt AlN under High Pressure via First-Principles Analysis 期刊论文
Communications in Theoretical Physics, 2008, 卷号: 50, 期号: 4, 页码: 990-994
作者:  W. Zhang;  X. R. Chen;  L. C. Cai;  Q. Q. Gou
Adobe PDF(207Kb)  |  收藏  |  浏览/下载：59/0  |  提交时间：2012/04/13
Semiconductors  Electronic Band Structure  Optical Properties  Density  Functional Theory  Aluminum Nitride  Wurtzite  Zincblende  Gan  Films  Inn