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Reshaping of Rh nanoparticles in operando conditions 期刊论文
CATALYSIS TODAY, 2020, 卷号: 350, 页码: 184-191
Authors:  Yuan, LN;  Li, XY;  Zhu, BE;  Zhang, GL;  Gao, Y
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GENERALIZED GRADIENT APPROXIMATION  TOTAL-ENERGY CALCULATIONS  IN-SITU TEM  SHAPE EVOLUTION  CO  DISSOCIATION  ADSORPTION  REDUCTION  HYDROGEN  SURFACE  
Probing the Hydrogen Bonding in Microsolvated Clusters of Au-1,2(-)(Solv)(n) (Solv = C2H5OH, n-C3H7OH; n=1-3 for Au-; n=1 for Au-2(-)) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 27, 页码: 5590-5598
Authors:  Wang, YT;  Han, CC;  Fei, ZJ;  Dong, CW;  Liu, HT
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QUADRATIC CONFIGURATION-INTERACTION  GENERALIZED GRADIENT APPROXIMATION  VAPOR-PHASE HYDROCHLORINATION  CATALYTIC-ACTIVITY  CO OXIDATION  PHOTOELECTRON-SPECTROSCOPY  DENSITY FUNCTIONALS  AEROBIC OXIDATION  CARBON-DIOXIDE  BASIS-SETS  
Electrocatalytic reduction of CO2 to ethylene and ethanol through hydrogen-assisted C-C coupling over fluorine-modified copper 期刊论文
NATURE CATALYSIS, 2020, 卷号: 3, 期号: 6, 页码: 478-487
Authors:  Ma, WC;  Xie, SJ;  Liu, TT;  Fan, QY;  Ye, JY;  Sun, FF;  Jiang, Z;  Zhang, QH;  Cheng, J;  Wang, Y
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GENERALIZED GRADIENT APPROXIMATION  CARBON-DIOXIDE  ELECTROCHEMICAL REDUCTION  CATALYTIC-HYDROGENATION  ENERGY CALCULATIONS  ELECTROLYTE DESIGN  OXIDATION-STATE  ELECTROREDUCTION  VALORIZATION  SELECTIVITY  
Coupled Biphase (1T-2H)-MoSe2 on Mold Spore Carbon for Advanced Hydrogen Evolution Reaction 期刊论文
SMALL, 2019, 卷号: 15, 期号: 30, 页码: -
Authors:  Deng, SJ;  Ai, CZ;  Luo, M;  Liu, B;  Zhang, Y;  Li, YH;  Lin, SW;  Pan, GX;  Xiong, QQ;  Liu, Q;  Wang, XL;  Xia, XH;  Tu, JP
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GENERALIZED GRADIENT APPROXIMATION  ELECTROCATALYST  SPECTROSCOPY  PHASE  
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  
Reconstruction of Supported Metal Nanoparticles in Reaction Conditions 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 卷号: 57, 期号: 22, 页码: 6464-6469
Authors:  Duan, MY;  Yu, J;  Meng, J;  Zhu, BE;  Wang, Y;  Gao, Y
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GENERALIZED GRADIENT APPROXIMATION  CO OXIDATION  IN-SITU  METHANOL SYNTHESIS  ELECTRONIC-PROPERTIES  ATMOSPHERIC-PRESSURE  COPPER NANOCRYSTALS  CATALYTIC-ACTIVITY  SHAPE EVOLUTION  GOLD CLUSTERS  
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  
Thiolate-Protected Hollow Gold Nanospheres 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: 34, 期号: 7, 页码: 770-775
Authors:  Xu, WW;  Gao, Y
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Effective Core Potentials  X-ray Crystallography  Crystal-structure  Optical-properties  Molecular Calculations  Theoretical-analysis  Electronic-properties  Structural Evolution  Nanoparticles  Nanoclusters