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	Structural and electronic properties of Ta₂O₅ with one formula unit 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 230 作者: Tong, Yangwu; Tang, Huimin; Yang, Yong 收藏 \| 浏览/下载：120/0 \| 提交时间：2023/11/17 Ta2O5 Structure Search Elementary Building Block DFT Calculations
	Insight into electronic structure and photocatalytic character of GaSe/MoS2 heterostructure by first-principles investigation 期刊论文 Solid State Communications, 2022, 卷号: 353 作者: Lu, Xuefeng; Cui, Tingshu; Ren, Junqiang; Guo, Xin; Xue, Hongtao 收藏 \| 浏览/下载：36/0 \| 提交时间：2022/08/09 Binding energy Calculations Energy gap Gallium compounds Hydrogen production Lattice mismatch Layered semiconductors Light Light absorption Molybdenum compounds Photocatalytic activity Redox reactions Selenium compounds Semiconductor quantum wells Electronic.structure First principle calculations First principles First-principles investigations Gase/MoS2 Photo-catalytic Photocatalytic character Photocatalytic property Structure property Two-dimensional
	Strong bulk-surface interaction dominated in-plane anisotropy of electronic structure in GaTe 期刊论文 COMMUNICATIONS PHYSICS, 2022, 卷号: 5, 期号: 1, 页码: 7 作者: Lai, Kang; Ju, Sailong; Zhu, Hongen; Wang, Hanwen; Wu, Hongjian 收藏 \| 浏览/下载：29/0 \| 提交时间：2022/07/14
	Anisotropic to Isotropic Transition in Monolayer Group-IV Tellurides 期刊论文 MATERIALS, 2021, 卷号: 14, 期号: 16, 页码: 12 作者: Wang, Qian; Wu, Liyuan; Urban, Alexander; Cao, Huawei; Lu, Pengfei 收藏 \| 浏览/下载：21/0 \| 提交时间：2021/12/01 two-dimensional materials group-IV tellurides anisotropic structure
	Optoelectronic properties of Rb-doped inorganic double perovskite Cs2AgBiBr6 期刊论文 Chemical Physics Letters, 2021, 卷号: 771 作者: Chen, Hong; Zhang, Cai-Rong; Liu, Zi-Jiang; Gong, Ji-Jun; Zhang, Mei-Ling 收藏 \| 浏览/下载：8/0 \| 提交时间：2021/04/12 Bismuth compounds Bromine compounds Cesium compounds Density functional theory Doping (additives) Electronic structure Energy gap Perovskite Rubidium compounds Silver Silver compounds Ag$++$ Cs$++$ Density-functional-theory Double perovskites Electronic.structure Inorganics Optical- Optoelectronics property Property Supercell model
	Vacancy defects on optoelectronic properties of double perovskite Cs2AgBiBr6 期刊论文 Materials Science in Semiconductor Processing, 2021, 卷号: 123 作者: Chen, Hong; Zhang, Cai-Rong; Liu, Zi-Jiang; Gong, Ji-Jun; Wang, Wei 收藏 \| 浏览/下载：2/0 \| 提交时间：2021/03/02 Binding energy Bismuth compounds Cesium compounds Crystal atomic structure Defects Density functional theory Electronic structure Energy gap Excitons Light absorption Perovskite Red Shift Silver compounds Absorption capability Double perovskites Exciton-binding energy Low energy regions Optoelectronic properties Slight deformations Supercell model Vacancy effects
	Predicted septuple-atomic-layer Janus MSiGeN4 (M = Mo and W) monolayers with Rashba spin splitting and high electron carrier mobilities 期刊论文 JOURNAL OF MATERIALS CHEMISTRY C, 2021, 卷号: 9, 期号: 7, 页码: 2464-2473 作者: Guo, San-Dong; Mu, Wen-Qi; Zhu, Yu-Tong; Han, Ru-Yue; Ren, Wen-Cai 收藏 \| 浏览/下载：21/0 \| 提交时间：2021/10/15
	Predicted septuple-atomic-layer Janus MSiGeN4 (M = Mo and W) monolayers with Rashba spin splitting and high electron carrier mobilities 期刊论文 JOURNAL OF MATERIALS CHEMISTRY C, 2021, 卷号: 9, 期号: 7, 页码: 2464-2473 作者: Guo, San-Dong; Mu, Wen-Qi; Zhu, Yu-Tong; Han, Ru-Yue; Ren, Wen-Cai 收藏 \| 浏览/下载：17/0 \| 提交时间：2021/10/15
	Structure effect on intrinsic piezoelectricity in septuple-atomic-layer MSi2N4 (M=Mo and W) 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 188, 页码: 8 作者: Guo, San-Dong; Zhu, Yu-Tong; Mu, Wen-Qi; Wang, Lei; Chen, Xing-Qiu 收藏 \| 浏览/下载：19/0 \| 提交时间：2021/10/15 MA(2)Z(4) family Piezoelectronics 2D materials
	A new two-dimensional semiconducting carbon allotrope with direct band gap: a first-principles prediction 期刊论文 JOURNAL OF PHYSICS-CONDENSED MATTER, 2021, 卷号: 33, 期号: 4, 页码: 10 作者: Yang, Xing; Wang, Yuwei; Xiao, Ruining; Liu, Huanxiang; Bing, Zhitong 收藏 \| 浏览/下载：31/0 \| 提交时间：2021/12/13 2D carbon allotrope semiconductor tunable band gap mechanical properties

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