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二氧化铈表面物理化学性质的第一性原理研究 学位论文
: 中国科学院大学(中国科学院上海应用物理研究所), 2018
Authors:  韩仲康
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二氧化铈表面氧缺陷  4f电子  扩散过程  金原子催化  第一性原理分子动力学  
拓扑材料SrSn_2As_2,EuCd_2As_2和铁基超导材料Ba_2Ti_2Fe_2As_4O的ARPES研究 学位论文
: 中国科学院大学(中国科学院上海应用物理研究所), 2018
Authors:  荣丽媛
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角分辨光电子能谱  拓扑绝缘体  拓扑半金属  铁基超导体  
低维薄膜材料的第一性原理研究 学位论文
: 中国科学院大学(中国科学院上海应用物理研究所), 2018
Authors:  梁兆峰
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分子自组装  表面吸附  碲纳米带  电子结构  第一性原理计算  
Universal superconductivity phase diagram for pressurized tetradymite topological insulators 期刊论文
PHYSICAL REVIEW MATERIALS, 2018, 卷号: 2, 期号: 11, 页码: -
Authors:  Cai, S;  Kushwaha, SK;  Guo, J;  Sidorov, VA;  Le, CC;  Zhou, YZ;  Wang, HH;  Lin, GC;  Li, XD;  Li, YC;  Yang, K;  Li, AG;  Wu, Q;  Hu, JP;  Cava, RJ;  Sun, LL
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TOTAL-ENERGY CALCULATIONS  HGTE QUANTUM-WELLS  SINGLE DIRAC CONE  WAVE BASIS-SET  TRANSITIONS  SURFACE  BI2SE3  COMPUTATION  BI2TE2SE  METALS  
Intrinsic composition and electronic effects of multicomponent platinum nanocatalysts with high activity and selectivity for ethanol oxidation reaction 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 期号: 24, 页码: 11270-11280
Authors:  Dai, LX;  Wang, XY;  Yang, SS;  Zhang, T;  Ren, PJ;  Ye, JY;  Nan, B;  Wen, XD;  Zhou, ZY;  Si, R;  Yan, CH;  Zhang, YW
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DENSITY-FUNCTIONAL THEORY  TOTAL-ENERGY CALCULATIONS  WAVE BASIS-SET  FUEL-CELLS  TRANSITION-METALS  PLANE-WAVE  OXIDIZING ETHANOL  OXYGEN REDUCTION  C-C  ELECTROCATALYSTS  
Improvement of thermoelectric performance of copper-deficient compounds Cu-2.5+delta In4.5Te8 (delta=0-0.15) due to a degenerate impurity band and ultralow lattice thermal conductivity 期刊论文
RSC ADVANCES, 2018, 卷号: 8, 期号: 48, 页码: 27163-27170
Authors:  Ren, T;  Ying, PZ;  Cai, GM;  Li, XY;  Han, ZK;  Min, L;  Cui, JL
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TOTAL-ENERGY CALCULATIONS  WAVE BASIS-SET  SEMICONDUCTORS  VACANCY  CUINTE2  ENHANCEMENT  SCATTERING  EFFICIENCY  ALLOYS  
First-principles study on structural, mechanical and electronic properties of thorium dichalcogenides under high pressure 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2018, 卷号: 508, 期号: -, 页码: 147-153
Authors:  Guo, YL;  Chen, JC;  Wang, CY;  Jiao, ZY;  Ke, XZ;  Huai, P
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TOTAL-ENERGY CALCULATIONS  AUGMENTED-WAVE METHOD  AB-INITIO  BASIS-SET  STABILITY  PHASE  TRANSITION  PARAMETERS  CARBIDE  STATE  
Directed self-assembly pathways of three-dimensional Pt/Pd nanocrystal superlattice electrocatalysts for enhanced methanol oxidation reaction 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2018, 卷号: 6, 期号: 26, 页码: 12759-12767
Authors:  Xu, GR;  Si, R;  Liu, JY;  Zhang, LY;  Gong, X;  Gao, R;  Liu, BC;  Zhang, J
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TOTAL-ENERGY CALCULATIONS  AUGMENTED-WAVE METHOD  ONE-POT SYNTHESIS  BIMETALLIC NANODENDRITES  METAL NANOCRYSTALS  OXYGEN REDUCTION  GREEN SYNTHESIS  BASIS-SET  ELECTROOXIDATION  NANOPARTICLES  
Ti1-xSnxO2 nanofilms: Layer-by-layer deposition with extended Sn solubility and characterization 期刊论文
APPLIED SURFACE SCIENCE, 2018, 卷号: 428, 页码: 710-717
Authors:  Yong, ZH;  Linghu, JJ;  Xi, SB;  Tan, HR;  Shen, L;  Yang, P;  Hui, HK;  Cao, JQ;  Leek, ML;  Yin, XM;  Feng, YP;  Pan, JS
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Improved Photocatalytic Activity  Lithium-ion Batteries  Tio2 Thin-films  Performance  Absorption  Nanoparticles  Spectroscopy  Uv  
Three-component fermions with surface Fermi arcs in tungsten carbide 期刊论文
NATURE PHYSICS, 2018, 卷号: 14, 期号: 4, 页码: 349-+
Authors:  Ma, JZ;  He, JB;  Xu, YF;  Lv, BQ;  Chen, D;  Zhu, WL;  Zhang, S;  Kong, LY;  Gao, X;  Rong, LY;  Huang, YB;  Richard, P;  Xi, CY;  Choi, ES;  Shao, Y;  Wang, YL;  Gao, HJ;  Dai, X;  Fang, C;  Weng, HM;  Chen, GF;  Qian, T;  Ding, H
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Total-energy Calculations  Wave Basis-set  Dirac Semimetals  Weyl  States  Taas