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Revealing the role of tellurium in palladium-tellurium catalysts for the direct synthesis of hydrogen peroxide 期刊论文
JOURNAL OF CATALYSIS, 2020, 卷号: 385, 页码: 21-29
Authors:  Tian, PF;  Xuan, FZ;  Ding, DD;  Sun, Y;  Xu, XY;  Li, W;  Si, R;  Xu, J;  Han, YF
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NEAR-ATMOSPHERIC PRESSURES  TOTAL-ENERGY CALCULATIONS  FINDING SADDLE-POINTS  DIRECT H2O2 SYNTHESIS  AT-PD SURFACES  ULTRAHIGH-VACUUM  ACTIVE-SITES  CO OXIDATION  H-2  O-2  
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  
Selective shortening of gold nanorods: when surface functionalization dictates the reactivity of nanostructures 期刊论文
NANOSCALE, 2020, 卷号: 12, 期号: 44, 页码: 22658-22667
Authors:  Khelfa, A;  Meng, J;  Byun, C;  Wang, GL;  Nelayah, J;  Ricolleau, C;  Amara, H;  Guesmi, H;  Alloyeau, D
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TOTAL-ENERGY CALCULATIONS  IN-SITU  NANOPARTICLES  BIODEGRADATION  METALS  GROWTH  ADSORPTION  NUCLEATION  NANOCUBES  DYNAMICS  
Role of local coordination in bimetallic sites for oxygen reduction: A theoretical analysis 期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2020, 卷号: 44, 页码: 131-137
Authors:  Yang, YQ;  Zhang, H;  Liang, ZF;  Yin, YR;  Mei, BB;  Song, F;  Sun, FF;  Gu, SQ;  Jiang, Z;  Wu, YE;  Zhu, ZY
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TOTAL-ENERGY CALCULATIONS  ACTIVE-SITES  ELECTROCATALYSTS  CATALYSTS  DESIGN  IDENTIFICATION  PERFORMANCE  CARBON  CON4  
Organometallic-Based Hybrid Perovskite Piezoelectrics with a Narrow Band Gap 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2020, 卷号: 142, 期号: 41, 页码: 17787-17794
Authors:  Zhang, ZX;  Zhang, HY;  Zhang, W;  Chen, XG;  Wang, H;  Xiong, RG
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INITIO MOLECULAR-DYNAMICS  TOTAL-ENERGY CALCULATIONS  DIELECTRIC-PROPERTIES  TEMPERATURE  TRANSITION  SALT  
Facile synthesis of Au embedded CuOx-CeO2 core/shell nanospheres as highly reactive and sinter-resistant catalysts for catalytic hydrogenation of p-nitrophenol 期刊论文
NANO RESEARCH, 2020, 卷号: 13, 期号: 8, 页码: 2044-2055
Authors:  Wu, K;  Wang, XY;  Guo, LL;  Xu, YJ;  Zhou, L;  Lyu, ZY;  Liu, KY;  Si, R;  Zhang, YW;  Sun, LD;  Yan, CH
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TOTAL-ENERGY CALCULATIONS  GOLD NANOPARTICLES  PLATINUM NANOPARTICLES  CRYSTAL PLANE  REDUCTION  CERIA  NANOCOMPOSITES  CO  4-NITROPHENOL  NANOCATALYST  
Engineering unsymmetrically coordinated Cu-S1N3 single atom sites with enhanced oxygen reduction activity 期刊论文
NATURE COMMUNICATIONS, 2020, 卷号: 11, 期号: 1, 页码: -
Authors:  Shang, HS;  Zhou, XY;  Dong, JC;  Li, A;  Zhao, X;  Liu, QH;  Lin, Y;  Pei, JJ;  Li, Z;  Jiang, ZL;  Zhou, DN;  Zheng, LR;  Wang, Y;  Zhou, J;  Yang, ZK;  Cao, R;  Sarangi, R;  Sun, TT;  Yang, X;  Zheng, XS;  Yan, WS;  Zhuang, ZB;  Li, J;  Chen, WX;  Wang, DS;  Zhang, JT;  Li, YD
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METAL-ORGANIC-FRAMEWORK  TOTAL-ENERGY CALCULATIONS  FE-N-C  RATIONAL DESIGN  ELECTROCATALYSTS  EVOLUTION  CATALYSTS  COPPER  CARBON  IDENTIFICATION  
Efficient and stable Ruddlesden-Popper perovskite solar cell with tailored interlayer molecular interaction 期刊论文
NATURE PHOTONICS, 2020, 卷号: 14, 期号: 3, 页码: 154-
Authors:  Ren, H;  Yu, SD;  Chao, LF;  Xia, YD;  Sun, YH;  Zuo, SW;  Li, F;  Niu, TT;  Yang, YG;  Ju, HX;  Li, BX;  Du, HY;  Gao, XY;  Zhang, J;  Wang, JP;  Zhang, LJ;  Chen, YH;  Huang, W
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TOTAL-ENERGY CALCULATIONS  OPTICAL-PROPERTIES  HALIDE PEROVSKITES  STABILITY  MIGRATION  LENGTHS  SULFUR  
DNA-Guided Room-Temperature Synthesis of Single-Crystalline Gold Nanostructures on Graphdiyne Substrates 期刊论文
ACS CENTRAL SCIENCE, 2020, 卷号: 6, 期号: 5, 页码: 779-786
Authors:  Chen, XL;  He, F;  Fang, WN;  Shen, JL;  Liu, XG;  Xue, YR;  Liu, HB;  Li, J;  Wang, LH;  Li, YL;  Fan, CH
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INITIO MOLECULAR-DYNAMICS  TOTAL-ENERGY CALCULATIONS  BIOLOGICAL SYNTHESIS  OPTICAL-PROPERTIES  NANOWIRES  GRAPHENE  SURFACE  IDENTIFICATION  TRANSITION  ADSORPTION  
Decompression-Induced Diamond Formation from Graphite Sheared under Pressure 期刊论文
PHYSICAL REVIEW LETTERS, 2020, 卷号: 124, 期号: 6, 页码: -
Authors:  Dong, JJ;  Yao, Z;  Yao, MG;  Li, R;  Hu, K;  Zhu, LY;  Wang, Y;  Sun, HH;  Sundqvist, B;  Yang, K;  Liu, BB
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TOTAL-ENERGY CALCULATIONS  X-RAY  GLASSY-CARBON  TRANSFORMATION  TRANSITION  MECHANISM  GRAPHENE  GROWTH