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Algorithm advances and applications of time-dependent first-principles simulations for ultrafast dynamics 期刊论文
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2021, 页码: e1577
作者:  Liu, Wen-Hao;   Wang, Zhi;   Chen, Zhang-Hui;   Luo, Jun-Wei;   Li, Shu-Shen;   Wang, Lin-Wang
收藏  |  浏览/下载：19/0  |  提交时间：2022/03/23
First principles study of Schottky barriers at Ga2O3(100)/metal interfaces 期刊论文
RSC ADVANCES, 2020, 卷号: 10, 期号: 25, 页码: 14746-14752
作者:  Ran Xu;   Na Lin;   Zhitai Jia;   Yueyang Liu;   Haoyuan Wang;   Yifei Yu ;   Xian Zhao
收藏  |  浏览/下载：13/0  |  提交时间：2021/06/28
Deep insights into interface engineering by buffer layer for efficient perovskite solar cells: a first-principles study 期刊论文
SCIENCE CHINA-MATERIALS, 2020, 卷号: 63, 期号: 8, 页码: 1588-1596
作者:  Le Huang ;   Huafeng Dong ;   Nengjie Huo ;   Zhaoqiang Zheng ;   Hui-Xiong Deng ;   Gang Zhang ;   Yuan Cheng ;   Jingbo Li
收藏  |  浏览/下载：22/0  |  提交时间：2021/06/22
First-principles study of electronic and optical properties of sulfur doped tin monoxide: A potential applicant for optoelectronic devices 期刊论文
Ceramics International, 2019, 卷号: 45, 期号: 6, 页码: 7495-7503
作者:  Zeeshan Tariq;   Faheem K. Butt ;   Sajid Ur Rehman ;   Bakhtiar Ul Haq ;  F. Aleem ;  Chuanbo Li
收藏  |  浏览/下载：3/0  |  提交时间：2020/07/31
Quantum size and electric field modulations on electronic structures of sns2/bn hetero-multilayers 期刊论文
Journal of physics d: applied physics, 2018, 卷号: 51, 期号: 21
作者:  Xia,Congxin;  Zhang,Qian;  Xiao,Wenbo;  Du,Juan;  Li,Xueping
收藏  |  浏览/下载：313/0  |  提交时间：2019/05/12
First-principles calculations of nitrogen-doped antimony triselenide: A prospective material for solar cells and infrared optoelectronic devices 期刊论文
Frontiers of Physics, 2018, 卷号: 13, 期号: 3, 页码: 137805
作者:  Sajid-ur-Rehman ;   Faheem K. Butt ;   Chuanbo Li ;   Bakhtiar Ul Haq ;   ;   Zeeshan Tariq ;   F. Aleem
收藏  |  浏览/下载：19/0  |  提交时间：2019/11/19
The band structure and optical gain of a new IV-group alloy GePb: A first-principles calculation 期刊论文
Journal of Alloys and Compounds, 2017, 卷号: 701, 页码: 816-821
作者:  Wenqi Huang;  Buwen Cheng;  Chunlai Xue;  Hong Yang
收藏  |  浏览/下载：60/0  |  提交时间：2018/07/02
Intrinsic defects in gallium sulfide monolayer: a first-principles study 期刊论文
rsc advances, 2015, 卷号: 5, 期号: 63, 页码: 50883-50889
Hui Chen; Yan Li; Le Huang; Jingbo Li
收藏  |  浏览/下载：14/0  |  提交时间：2016/03/29
Charge oscillations and interaction between potassium adatoms on graphene studied by first-principles calculations 期刊论文
physical review b, 2015, 卷号: 91, 期号: 3, 页码: 035415
Xiaojie Liu; Cai-Zhuang Wang; Hai-Qing Lin; Kai Chang; Jian Chen; Kai-Ming Ho
收藏  |  浏览/下载：16/0  |  提交时间：2016/04/08
Comparative studies of band structures for biaxial (100)-, (110)-, and (111)-strained GeSn: A first-principles calculation with GGA1U approach 期刊论文
journal of applied physics, 2015, 卷号: 118, 期号: 16, 页码: 107403
Wenqi Huang; Buwen Cheng; Chunlai Xue; Zhi Liu
收藏  |  浏览/下载：13/0  |  提交时间：2016/03/22

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