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Controllable electronic effect via deep eutectic solvents modification for boosted aerobic oxidative desulfurization 期刊论文
MOLECULAR CATALYSIS, 2021, 卷号: 512, 页码: 8
Authors:  Lu, Linjie;  Zhang, Bingsen;  Li, Hongping;  Chao, Yanhong;  Li, Yujun;  Chen, Linlin;  Li, Huaming;  Ji, Hongbing;  Wu, Peiwen;  Zhu, Wenshuai
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Electronic structure  Deep eutectic solvent  Hexagonal boron nitride  Organic modification  Oxidative desulfurization  
Structure-composition-property correlations of symmetrical tilt grain boundaries in copper-based binary alloys 期刊论文
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2021, 卷号: 154, 页码: 9
Authors:  Xue, Hongtao;  Lei, Chao;  Tang, Fuling;  Li, Xiuyan;  Luo, Yaqiao;  Ren, Junqiang;  Lu, Xuefeng
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Alloys  Ab initio calculations  Electronic structure  Thermodynamic properties  Mechanical properties  
Modulating Electronic Structure of Monolayer Transition Metal Dichalcogenides by Substitutional Nb-Doping 期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2020, 页码: 7
Authors:  Tang, Lei;  Xu, Runzhang;  Tan, Junyang;  Luo, Yuting;  Zou, Jingyun;  Zhang, Zongteng;  Zhang, Rongjie;  Zhao, Yue;  Lin, Junhao;  Zou, Xiaolong;  Liu, Bilu;  Cheng, Hui-Ming
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2D materials  bandgap  doping  electronic structure  TMDCs  
AN AB INITIO INVESTIGATION OF THE EFFECT OF Co, Ru, W, Ta ON THE STABILITY AND ELECTRONIC PROPERTIES OF Ni-BASE SINGLE CRYSTAL SUPERALLOYS 期刊论文
DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES, 2020, 卷号: 15, 期号: 4, 页码: 1215-1226
Authors:  Liu, J.;  Du, X.;  Li, J.
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Site occupancy  Ab initio calculations  Ni-based single crystal superalloys  Electronic structure  
First-principles comprehensive study of electronic and mechanical properties of novel uranium hydrides at different pressures 期刊论文
PROGRESS IN NATURAL SCIENCE-MATERIALS INTERNATIONAL, 2020, 卷号: 30, 期号: 2, 页码: 251-259
Authors:  Liu, Min;  Shi, Yongpeng;  Liu, Mingfeng;  Li, Dianzhong;  Mo, Wenlin;  Fa, Tao;  Bai, Bin;  Wang, Xiaolin;  Chen, Xingqiu
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Uranium hydrides  Structure search  Electronic properties  Mechanical properties  First-principles calculations  
Postillumination Activity in a Single-Phase Photocatalyst of Mo-Doped TiO2 Nanotube Array from Its Photocatalytic "Memory" 期刊论文
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2018, 卷号: 6, 期号: 5, 页码: 6166-6174
Authors:  Feng, F;  Yang, WY;  Gao, S;  Sun, CX;  Li, Q;  Li, Q (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Environm Funct Mat Div, Shenyang 110016, Peoples R China.
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Illumination Catalytic Memory  Visible-light Illumination  Water-treatment Technology  Electronic-structure  Oh Radicals  Oxide  Degradation  Oxidation  Nitrogen  Films  
Influence of alloy element partitioning on strength of primary alpha phasein Ti-6Al-4V alloy 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 5, 页码: 782-787
Authors:  Zeng, LR;  Chen, HL;  Li, X;  Lei, LM;  Zhang, GP;  Zhang, GP (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.
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Mechanical-properties  Titanium-alloys  Electronic-structure  Ti-alloy  Nanoindentation  Behavior  Microstructure  Deformation  Simulations  Orientation  
Role of the X and n factors in ion-irradiation induced phase transformations of M(n+1)AX(n) phases 期刊论文
ACTA MATERIALIA, 2018, 卷号: 144, 页码: 432-446
Authors:  Wang, CX;  Yang, TF;  Tracy, CL;  Xiao, JR;  Liu, SS;  Fang, Y;  Yan, ZF;  Ge, W;  Xue, JM;  Zhang, J;  Wang, JY;  Huang, Q;  Ewing, RC;  Wang, YG;  Wang, YG (reprint author), Peking Univ, Ctr Appl Phys & Technol, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China.
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Augmented-wave Method  Max Phases  Structural Transitions  Electronic-structure  Damage Evolution  Ti3alc2  Ti2alc  Ti3sic2  Ceramics  Ti4aln3  
Dispersive adsorption of Xylopia aethiopica constituents on carbon steel in acid-chloride medium: A combined experimental and theoretical approach 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 249, 页码: 371-388
Authors:  Njoku, DI;  Li, Y;  Lgaz, H;  Oguzie, EE;  Li, Y (reprint author), Chinese Acad Sci, Inst Met Res, Lab Corros & Protect, 62 Wencui Rd, Shenyang 110016, Liaoning, Peoples R China.
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Materials Protection Corrosion  Kola-nitida Extract  m Hcl Medium  Mild-steel  Hydrochloric-acid  Sulfuric-acid  Natural-products  Inhibition Performance  Electronic-structure  H2so4 Solutions  
The electronic and mechanical properties of tetragonal YB2C as explored by first-principles methods 期刊论文
ELSEVIER SCIENCE SA, 2017, 卷号: 726, 页码: 173-178
Authors:  Ma, Huannan;  Mi, Guofa;  Cheng, Xiyue;  Liu, Chen;  Li, Dianzhong;  Li, Yiyi;  Xu, Lei;  Chen, Xing-Qiu;  Xu, L (reprint author), Henan Polytech Univ, Sch Mat Sci & Engn, Jiaozuo 454000, Peoples R China.;  Chen, XQ (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci SYNL, IMR, Shenyang 110016, Liaoning, Peoples R China.;  Cheng, XY (reprint author), Chinese Acad Sci, Fujian Inst Res Struct Matter FJIRSM, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China.
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Layered Rare Earth Borocarbide  Electronic Structure  Ideal Strength  First-principle Calculations