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兰州理工大学 [31]

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期刊论文 [30]

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	First-Principles Calculations of Electronic Structure and Optical Properties of Si-Doped and Vacancy beta-Ga2O3 期刊论文 CRYSTAL RESEARCH AND TECHNOLOGY, 2021, 卷号: 57, 期号: 1 作者: Liu, Jifei; Gao, Shanshan; Li, Weixue; Dai, Jianfeng; Suo, Zhongqiang 收藏 \| 浏览/下载：9/0 \| 提交时间：2021/12/17 beta-Ga2O3 effective mass electronic structure generalized gradient approximation Hubbard term optical properties
	Influence of transition metals (Sc, Ti, V, Cr, and Mn) doping on magnetism of CdS 期刊论文 Chinese Physics B, 2020, 卷号: 29, 期号: 11 作者: Suo, Zhongqiang; Dai, Jianfeng; Gao, Shanshan; Gao, Haoran 收藏 \| 浏览/下载：13/0 \| 提交时间：2020/12/18 Cadmium sulfide Charge transfer Chromium compounds Ferromagnetic materials Ferromagnetism Functional materials II-VI semiconductors Magnetic moments Magnetic semiconductors Manganese compounds Semiconductor doping Spin fluctuations Transition metals Zinc sulfideAntiferromagnetics Conduction-band minimum Dilute magnetic semiconductors Direct-charge transfers Double exchange interactions Ferromagnetic systems Generalized gradient approximations Wurtzite structure
	Hydrogen storage capacity of alkali metal atoms decorated porous graphene 期刊论文 Wuli Xuebao/Acta Physica Sinica, 2020, 卷号: 69, 期号: 6 作者: Yuan, Li-Hua; Gong, Ji-Jun; Wang, Dao-Bin; Zhang, Cai-Rong; Zhang, Mei-Ling 收藏 \| 浏览/下载：6/0 \| 提交时间：2020/11/14 Adatoms Atoms Desorption Flow of solids Gas adsorption Graphene Lithium Molecular dynamics Molecules Nanopores System stability Temperature Van der Waals forces Ab initio molecular dynamics Ab initio molecular dynamics simulation Charge density difference First principles method Generalized gradient approximations Hydrogen adsorption capacity Hydrogen storage capacities Van Der Waals interactions
	Effect of Cu/Al doping on electronic structure and optical properties of ZnO 期刊论文 RESULTS IN PHYSICS, 2019, 卷号: 15 作者: Dai, Jianfeng; Suo, Zhongqiang; Li, Zengpeng; Gao, Shanshan 收藏 \| 浏览/下载：6/0 \| 提交时间：2020/06/02 Cu/Al co-doped ZnO Electronic structure Conductivity Optical properties
	First principle study of Mn-doped and vacancy on the magnetism and optical properties of CdS 期刊论文 RESULTS IN PHYSICS, 2019, 卷号: 15 作者: Suo, Zhongqiang; Dai, Jianfeng; Li, Zengpeng; Gao, Shanshan 收藏 \| 浏览/下载：4/0 \| 提交时间：2020/06/02 Mn-doped and Vacancy CdS Magnetism Optical properties
	Investigation of the Electronic Structures and Optical Properties of Zinc-Blende ZnS Doped with Transition Metals From a First-Principles Method 期刊论文 PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2018, 卷号: 255, 期号: 9 作者: Lu, Xuefeng; Lei, Qingfeng; Gao, Xu; Ren, Junqiang; Guo, Xin 收藏 \| 浏览/下载：20/0 \| 提交时间：2019/11/15 charge difference density electronic structures first-principles optical properties zinc sulfide
	Investigation of electronic structures and optical properties of β -Si3N4 doped with IV A elements: A first-principles simulation 期刊论文 AIP Advances, 2018, 卷号: 8, 期号: 4 作者: Lu, Xuefeng; Gao, Xu; Ren, Junqiang; Li, Cuixia; Guo, Xin 收藏 \| 浏览/下载：24/0 \| 提交时间：2020/11/14 Electronic structure Energy gap Germanium compounds Microelectronics Silicon nitride Charge difference First-principles simulations Formation energies Generalized gradient approximations Indirect band gap Micro-electronic devices Mulliken populations Perdew-burke-ernzerhof
	Investigation of electronic structures and optical properties of β -Si3N4 doped with IV A elements: A first-principles simulation 期刊论文 AIP Advances, 2018, 卷号: 8, 期号: 4 作者: Lu, Xuefeng; Gao, Xu; Ren, Junqiang; Li, Cuixia; Guo, Xin 收藏 \| 浏览/下载：10/0 \| 提交时间：2022/02/17 Electronic structure Energy gap Germanium compounds Microelectronics Semiconducting germanium Silicon nitride Charge difference First-principles simulations Formation energies Generalized gradient approximations Indirect band gap Micro-electronic devices Mulliken populations Perdew-burke-ernzerhof
	Investigation of electronic structures and optical properties of beta-Si3N4 doped with IV A elements: A first-principles simulation 期刊论文 AIP ADVANCES, 2018, 卷号: 8, 期号: 4 作者: Lu, Xuefeng; Gao, Xu; Ren, Junqiang; Li, Cuixia; Guo, Xin 收藏 \| 浏览/下载：20/0 \| 提交时间：2019/11/15
	Hydrogen storage capacity on Ti-decorated porous graphene: First-principles investigation 期刊论文 APPLIED SURFACE SCIENCE, 2018, 卷号: 434, 页码: 843-849 作者: Yuan, Lihua; Kang, Long; Chen, Yuhong; Wang, Daobin; Gong, Jijun 收藏 \| 浏览/下载：36/0 \| 提交时间：2019/11/15 Porous graphene Hydrogen storage Titanium decorated porous graphene First-principles

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