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Water-Assisted Homolytic Dissociation of Propyne on a Reduced Ceria Surface 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2020, 卷号: 59, 期号: 15, 页码: 6150-6154
Authors:  Zhong, JQ;  Han, ZK;  Werner, K;  Li, XY;  Gao, Y;  Shaikhutdinov, S;  Freund, HJ
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CEO2  HYDROGENATION  OXIDE  METHYLACETYLENE  ADSORPTION  CHEMISTRY  CATALYSIS  RH(111)  SPECTRA  FILMS  
Migration behavior of tellurium in bcc iron against typical alloying elements: A first-principles study 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 181, 页码: -
Authors:  Zhang, ZD;  Ren, CL;  Tan, ML;  Yang, YQ;  Yin, YR;  Wang, CY;  Han, H;  Huai, P
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INITIO MOLECULAR-DYNAMICS  SOLVENT SELF-DIFFUSION  AB-INITIO  ALPHA-IRON  FE  VACANCIES  NICKEL  ENERGY  DIFFUSIVITIES  TRANSITION  
Sample spinning to mitigate polarization artifact and interstitial-vacancy imbalance in ion-beam irradiation 期刊论文
NPJ COMPUTATIONAL MATERIALS, 2020, 卷号: 6, 期号: 1, 页码: -
Authors:  Ren, CL;  Yang, Y;  Li, YG;  Huai, P;  Zhu, ZY;  Li, J
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CHARGED-PARTICLE  CHALLENGES  FE  
Local nearly non-strained perovskite lattice approaching a broad environmental stability window of efficient solar cells 期刊论文
NANO ENERGY, 2020, 卷号: 75, 页码: -
Authors:  Xu, J;  Dong, H;  Xi, J;  Yang, YG;  Yu, Y;  Ma, L;  Chen, JB;  Jiao, B;  Hou, X;  Li, JR;  Wu, ZX
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HALIDE PEROVSKITES  PASSIVATION  PERFORMANCE  
Enhancing Bifunctional Electrocatalytic Activities via Metal d-Band Center Lift Induced by Oxygen Vacancy on the Subsurface of Perovskites 期刊论文
ACS CATALYSIS, 2020, 卷号: 10, 期号: 8, 页码: 4664-4670
Authors:  Lee, H;  Gwon, O;  Choi, K;  Zhang, LJ;  Zhou, J;  Park, J;  Yoo, JW;  Wang, JQ;  Lee, JH;  Kim, G
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EVOLUTION REACTION  OXIDE CATALYSTS  REDUCTION  EFFICIENT  
Interaction of the Cation and Vacancy in Hybrid Perovskites Induced by Light Illumination 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2020, 卷号: 12, 期号: 37, 页码: 42369-42377
Authors:  Lu, LY;  Shen, KC;  Wang, JK;  Su, ZH;  Li, YQ;  Chen, L;  Luo, YX;  Song, F;  Gao, XY;  Tang, JX
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SOLAR-CELLS  TRIHALIDE PEROVSKITE  INDUCED DEGRADATION  EFFICIENCY  TOLERANCE  STABILITY  MECHANISM  MIGRATION  IMPACT  
Hierarchically Manipulated Charge Recombination for Mitigating Energy Loss in CsPbI2Br Solar Cells 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2020, 卷号: 12, 期号: 37, 页码: 41596-41604
Authors:  Luo, YX;  Chen, JD;  Hou, HY;  Ye, YC;  Shen, KC;  Lu, LY;  Li, YQ;  Song, F;  Gao, XY;  Tang, JX
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HIGHLY EFFICIENT  PERFORMANCE  STABILITY  PASSIVATION  POLYMER  
Effects of alloy compositions on hydrogen behaviors at a nickel grain boundary and a coherent twin boundary 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2020, 卷号: 45, 期号: 18, 页码: 10951-10961
Authors:  Hui, J;  Yang, G;  Liu, M;  Liu, WG;  Wang, B
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1ST-PRINCIPLES CALCULATIONS  EMBRITTLEMENT  VACANCY  SEGREGATION  DIFFUSION  CLUSTERS  STEEL  NI  DECOHESION  SIMULATION  
Defective TiO2 for Propane Dehydrogenation 期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2020, 卷号: 59, 期号: 10, 页码: 4377-4387
Authors:  Li, CF;  Guo, XJ;  Shang, QH;  Yan, X;  Ren, CL;  Lang, WZ;  Guo, YJ
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CATALYTIC DEHYDROGENATION  PHOTOCATALYTIC ACTIVITY  DOPED TIO2  TI3+  NITROGEN  VACANCY  ORIGIN  SILICA  WATER  SITE  
Combined experimental and first-principles studies of structural and physical properties of beta-Ti3SiC2 期刊论文
JOURNAL OF APPLIED PHYSICS, 2020, 卷号: 128, 期号: 22, 页码: -
Authors:  Zhang, LQ;  Sun, JR;  Gao, X;  Deng, TY;  Cheng, ZY;  Tai, PF;  Chang, HL;  Xie, EQ;  Chen, JY;  Xia, MX
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TOTAL-ENERGY CALCULATIONS  AB-INITIO  MAX-PHASES  ELASTIC PROPERTIES  IRRADIATION RESISTANCE  MECHANICAL-PROPERTIES  M(N+1)AX(N) PHASES  TERNARY CARBIDES  TI3SIC2  STABILITY