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	Thermoelectric Properties of Mg₃(Bi,Sb)₂ under Finite Temperatures and Pressures: A First-Principles Study 期刊论文 NANOMATERIALS, 2024, 卷号: 14, 期号: 1, 页码: 17 作者: Peng Q(彭庆); Ma, Xinjie; Yang, Xiaoyu; Yuan XZ(袁晓泽); Chen, XiaoJia 收藏 \| 浏览/下载：0/0 \| 提交时间：2024/02/19 thermoelectric materials PBE-D3 vdW-DFq first-principles calculation Mg3Bi2-vSbv MatCloud
	The application of measuring atmospheric properties in overlap factor region using scanning Lidar 期刊论文 RESULTS IN PHYSICS, 2022, 卷号: 43 作者: Ji, Jie; Xie, Chenbo; Chen, Jianfeng; Zhao, Ming; Yang, Hao 收藏 \| 浏览/下载：17/0 \| 提交时间：2022/12/23 Scanning Lidar Overlap Factor Fernald Method Aerosol Optical Properties Slant Direction Detection
	First-principles calculation of the resistance to lead-bismuth eutectic corrosion on Fe (111) surface of austenitic stainless steel 期刊论文 Surface Science, 2022, 卷号: 725 作者: Long, Xinglin; Shi, Jingli; Zhu, Jun; Wan, Lei; Gao, Tao 收藏 \| 浏览/下载：27/0 \| 提交时间：2022/08/09 Alloying Alloying elements Aluminum corrosion Atoms Austenitic stainless steel Bismuth Calculations Corrosion inhibitors Corrosive effects Density functional theory Eutectics Steel corrosion Adsorption effect Adsorption energies Escape Fe atoms First principle calculations First principles Lead-bismuth eutectic Lead-bismuth eutectics Metal atoms
	Effect of alloying elements on the interface of fcc-Fe/Ni3Al by first principle calculations 期刊论文 Computational Materials Science, 2022, 卷号: 214 作者: Guo, Xin; Zhou, Jitian; Zhang, Xingxing; Yang, Ping; Ren, Junqiang 收藏 \| 浏览/下载：24/0 \| 提交时间：2022/09/22 Alloying Atoms Austenite Calculations Chemical bonds Density functional theory Electrons Density diagram Differential charge First principle calculations First principles Heat-resistant steel Interface energy Interface property Orbital electrons Orbitals Segregation
	Theoretical design of BAs/WX2 (X = S, Se) heterostructures for high-performance photovoltaic applications from DFT calculations 期刊论文 APPLIED SURFACE SCIENCE, 2022, 卷号: 599, 页码: 11 作者: Guan, Yue; Li, Xiaodan; Hu, Qingmiao; Zhao, Dandan; Zhang, Lin 收藏 \| 浏览/下载：31/0 \| 提交时间：2022/09/16 First principle calculations 2D materials Heterojunction Electronic structure Electric field Photovoltaic applications
	The controllable electronic characteristics and Schottky barrier of graphene/GaP heterostructure via interlayer coupling and in-plane strain 期刊论文 Materials Science and Engineering B: Solid-State Materials for Advanced Technology, 2022, 卷号: 284 作者: Lu, Xuefeng; Li, Lingxia; Guo, Xin; Ren, Junqiang; Xue, Hongtao 收藏 \| 浏览/下载：15/0 \| 提交时间：2022/08/09 Binding energy Calculations Gallium compounds Graphene Ground state Heterojunctions III-V semiconductors Ohmic contacts Schottky barrier diodes Strain Thermoelectric equipment Van der Waals forces Electronic characteristics Graphene/GaP In-plane strains Interlayer coupling Layer-spacing Micro/nano Nanoelectronic devices P-type Schottky barriers Schottky contacts
	Elasticity of Mg3Bi2-xSbx 期刊论文 MATERIALS, 2022, 卷号: 15, 期号: 20, 页码: 12 作者: Peng Q(彭庆); Zhao,Shuai; Yuan XZ(袁晓泽); Chen,XiaoJia 收藏 \| 浏览/下载：11/0 \| 提交时间：2022/11/21 thermoelectric materials Mg3Bi2-xSbx elasticity first-principle calculation
	Towards tailorable interface microstructure through Solid-state interface reaction between synthetic diamond grits and sputtered Ni-Cr binary alloy 期刊论文 Applied Surface Science, 2022, 卷号: 596 作者: Cheng, Wei; Liu, Zhuo; Lin, Qiaoli; Huang, Guoqin; Xu, Xipeng 收藏 \| 浏览/下载：26/0 \| 提交时间：2022/06/20 Binary alloys Calculations Carbides Chromium alloys Chromium compounds Crystal orientation Deformation Interface states Microstructure Phase interfaces Phase transitions Single crystals Superalloys Catalytic mechanisms Crystal planes Diamond grits First principle calculations Geometric optimization Interface mi-crostructure Interface microstructures Interface reactions Phases transformation Solid-state
	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：32/0 \| 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
	Enhancing P removal from primary Si by P-containing Al2Si2Sr phase during Al-Si solvent refining 期刊论文 MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2022, 卷号: 147 作者: Chen, Chen; Li, Jingwei; Song, Wangfeng; Jiang, Xuesong; Ding, Juxuan 收藏 \| 浏览/下载：11/0 \| 提交时间：2022/12/23 Al-Si alloy Solvent refining Al2Si2Sr phase First-principle calculation

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