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	The effect of loading modes on the strain-dependent energy gap of CdTe quantum dots: A first-principles study 期刊论文 COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 217, 页码: 7 作者: Wang, Jundiao; Shi, Ronghao; Xiao, Pan 收藏 \| 浏览/下载：14/0 \| 提交时间：2023/02/20 CdTe quantum dots First-principles calculations Strain-dependent energy gap Loading modes
	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：18/0 \| 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
	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：34/0 \| 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
	Performance of ferroelectric visible light type II Ag10Si4O13/TiO2 heterojunction photocatalyst 期刊论文 Catalysis Today, 2022, 卷号: 400-401, 页码: 146-158 作者: Li, Cuixia; Sun, Huizhen; Jin, Haize; Li, Wenshen; Liu, Jingbo Louise 收藏 \| 浏览/下载：24/0 \| 提交时间：2022/07/20 Charge transfer Electronic properties Energy gap Ferroelectricity Heterojunctions Light Photocatalytic activity Polarization Semiconductor materials Silicon Silicon compounds Spectroscopic analysis Titanium dioxide Water pollution Water resources Ag10si4O13/TiO2 heterojunction Decolourization Efficient decomposition Methylene Blue Performance Semiconductor photocatalyst TiO 2 Type II Visible light Water remediation
	Direct Determination of Band Gap of Defects in a Wide Band Gap Semiconductor 期刊论文 ACS APPLIED MATERIALS & INTERFACES, 2022, 卷号: 14, 期号: 32, 页码: 36875-36881 作者: Yan, Xuexi; Jin, Qianqian; Jiang, Yixiao; Yao, Tingting; Li, Xiang 收藏 \| 浏览/下载：96/0 \| 提交时间：2022/09/22 IDBs band gap transmission electron microscopy electron energy-loss spectroscopy first-principles calculations AlN
	Comparison and theoretical analysis of the photocatalytic performance of Ni2+-Fe3+-CO32−-LDHs and Ni2+-Al3+-CO32−-LDHs 期刊论文 Journal of Molecular Structure, 2022, 卷号: 1262 作者: Song, Xiaoli; Pang, Yaming; Yuan, Yuanyuan; Fu, Yuxiu; Gao, Liguo 收藏 \| 浏览/下载：18/0 \| 提交时间：2022/04/21 Calculations Citrus fruits Energy gap Nickel Photocatalytic activity Precipitation (chemical) Wastewater treatment D orbitals DFT Dyes wastewaters Fe 3+ Homogeneous Precipitation Hydrotalcites Low band gap Ni2+-al3+-CO32−-LDH Ni2+-fe3+-CO32−-LDH Single electron
	A simple fabrication, microstructure, optical, photoluminescence and supercapacitive performances of MgMoO4/MgWO4 heterojunction micro/nanocomposites 期刊论文 Solid State Sciences, 2022, 卷号: 129 作者: Gao, Huajing; Wang, Yue; Wang, Shifa; Yang, Hua; Yi, Zao 收藏 \| 浏览/下载：14/0 \| 提交时间：2022/06/20 Crystal structure Energy gap Heterojunctions Optical band gaps Oxygen Photoluminescence Supercapacitor Temperature Adsorbed oxygen Calcination technologies Crystal planes Heterojunction structures Lows-temperatures Optical photoluminescence Performance Polyacrylamide gel method Simple++ Supercapacitor performance
	Electronic and magnetic properties of sub-unit cell α-Fe2O3 films on the α-Al2O3 (0001) substrate 期刊论文 Computational Materials Science, 2022, 卷号: 210 作者: Niu, Jiajia; Jiang, Yixiao; He, Yibo; Tao, Ang; Chen, Chunlin 收藏 \| 浏览/下载：24/0 \| 提交时间：2022/06/20 Alumina Aluminum oxide Antiferromagnetism Cells Cytology Energy gap Ferromagnetic materials Ferromagnetism Hematite Interface states Magnetic properties Metals Oxide films Substrates Electron state at interface Electronic and magnetic properties Fe O First principle calculations Magnetic configuration Magnetic properties of interfaces Metallic oxides Sub-units Type II Unit cells
	Defect engineering in novel broad-band gap hexaaluminate MAl12O19 (M=Ca, sr, Ba)-Based photocatalysts Boosts Near ultraviolet and visible light-driven photocatalytic performance 期刊论文 Materials Today Chemistry, 2022, 卷号: 24 作者: Wang, S.; Gao, H.; Jin, Y.; Chen, X.; Wang, F. 收藏 \| 浏览/下载：22/0 \| 提交时间：2022/06/20 Aluminum compounds Aromatic compounds Cerium oxide Charge carriers Energy gap Ions Light Manganese Manganese oxide Oxides Photocatalytic activity Strontium compounds Al-ions Defect engineering Light response Light response ability Mn ions Near ultraviolet Organic dye P-n heterojunctions Polyacrylamide gel method Response ability
	Anion-doped CeO2 for high-performance lithium-sulfur batteries 期刊论文 Applied Surface Science, 2022, 卷号: 584 作者: Chen, Jingzhou; Feng, Wangjun; W., Zhao 收藏 \| 浏览/下载：19/0 \| 提交时间：2022/04/21 Cathodes Cerium oxide Costs Density functional theory Doping (additives) Energy gap Ions Lithium batteries Lithium sulfur batteries Reaction kinetics Sulfur compounds Anion doping Capacity costs Cathodes material CeO2-xSx nanoparticle Commercialisation Lithium/sulfur batteries Low-costs Performance Theoretical capacity Ultra-high

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