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Structures and Mechanical and Electronic Properties of the Ti2CO2 MXene Incorporated with Neighboring Elements (Sc, V, B and N) 期刊论文
JOURNAL OF ELECTRONIC MATERIALS, 2017, 卷号: 46, 期号: 4, 页码: 2460-2466
Authors:  Feng, Li;  Zha, Xian-Hu;  Luo, Kan;  Huang, Qing;  He, Jian;  Liu, Yijun;  Deng, Wei;  Du, Shiyu
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Density Functional Theory  Mxene  Mechanical Strength  Electronic Properties  
Controllable magnitude and anisotropy of the electrical conductivity of Hf3C2O2 MXene 期刊论文
Journal of Physics: Condensed Matter, 2017, 卷号: 29, 期号: 16
Authors:  Zha,Xian-Hu;  Zhou,Jie;  Luo,Kan;  Lang,Jiajian;  Huang,Qing;  Zhou,Xiaobing;  Francisco,Joseph S;  He,Jian;  Du,Shiyu
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MXene  electronic structure  electrical conductivity  strain sensor  
Structural, electronic and mechanical properties of (NbxTi1-x)(2)SC and (NbxZr1-x)(2)SC (0 <= x <= 1) from first-principles investigations 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1090, 页码: 58-66
Authors:  Liu, Guoquan;  Li, Qiuwu;  Qiu, Nianxiang;  He, Jian;  Huang, Qing;  Luo, Kan;  Lin, Fu;  Lin, Cheng-Te;  Du, Shiyu
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First Principles  Max Phase  Solid Solution  Mechanical Properties  Electronic And Bonding Properties  
Intrinsic Structural, Electrical, Thermal, and Mechanical Properties of the Promising Conductor Mo2C MXene 期刊论文
Journal of Physical Chemistry C, 2016, 卷号: 120, 期号: 28, 页码: 15082-15088
Authors:  Zha, Xian-Hu;  Yin, Jingshuo;  Zhou, Yuhong;  Huang, Qing;  Luo, Kan;  Lang, Jiajian;  Francisco, Joseph S.;  He, Jian;  Du, Shiyu
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Crystal structures and mechanical properties of M (Mg, Sr, Ba, La)(x)Ca1-xB6 solid solution: A first principles study 期刊论文
CERAMICS INTERNATIONAL, 2016, 卷号: 42, 期号: 6, 页码: 6632-6639
Authors:  Luo, Kan;  Qiao, Yingjie;  He, Shihong;  Zha, Xian-Hu;  Huang, Qing;  He, Jian;  Lin, Cheng-Te;  Du, Shiyu
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Mechanical Properties  First-principles  Calcium Hexaboride  Solid Solution  
Negative differential resistance and rectifying performance induced by doped graphene nanoribbons p-n device 期刊论文
PHYSICS LETTERS A, 2016, 卷号: 380, 期号: 9-10, 页码: 1049-1055
Authors:  Zhou, Yuhong;  Qiu, Nianxiang;  Li, Runwei;  Guo, Zhansheng;  Zhang, Jian;  Fang, Junfeng;  Huang, Aisheng;  He, Jian;  Zha, Xianhu;  Luo, Kan;  Yin, Jingshuo;  Li, Qiuwu;  Bai, Xiaojing;  Huang, Qing;  Du, Shiyu
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Graphene Nanoribbons  First-principles  Negative Differential Resistance  Rectifying Performance  Electronic Transport Properties  
Ash Fusion Properties from Molecular Dynamics Simulation: Role of the Ratio of Silicon and Aluminum 期刊论文
ENERGY & FUELS, 2016, 卷号: 30, 期号: 3, 页码: 2407-2413
Authors:  Dai, Xin;  He, Jian;  Bai, Jin;  Huang, Qing;  Wen, Xiaodong;  Xie, Lu;  Luo, Kan;  Zhang, Jian;  Li, Wen;  Du, Shiyu
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First-principles investigations on the electronic structures of U3Si2 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2016, 卷号: 469, 页码: 194-199
Authors:  Wang, Tong;  Qiu, Nianxiang;  Wen, Xiaodong;  Tian, Yonghui;  He, Jian;  Luo, Kan;  Zha, Xianhu;  Zhou, Yuhong;  Huang, Qing;  Lang, Jiajian;  Du, Shiyu
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New insight into the helium-induced damage in MAX phase Ti3AlC2 by Firstprinciples studies 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 143, 期号: 0, 页码: 1147071
Authors:  Yiguo Xu;  Xiaojing Bai;  Xianhu Zha;  Qing Huang;  Jian He;  Kan Luo;  Timothy C. Germann;  Joseph S. Francisco;  Shiyu Du
Favorite  |  View/Download:37/0  |  Submit date:2016/11/24
New insight into the helium-induced damage in MAX phase Ti3AlC2 by first-principles studies 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 143, 期号: 11
Authors:  Xu, Yiguo;  Bai, Xiaojing;  Zha, Xianhu;  Huang, Qing;  He, Jian;  Luo, Kan;  Zhou, Yuhong;  Germann, Timothy C.;  Francisco, Joseph S.;  Du, Shiyu
Favorite  |  View/Download:43/0  |  Submit date:2015/11/17