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Tuning electronic and optical properties of CsPbI3 by applying strain: A first-principles theoretical study 期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 732, 页码: 4
Authors:  Jing, Huijuan;  Sa, Rongjian;  Xu, Ge
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Hydrostatic strain  CsPbI3  Electronic properties  Mechanical properties  First-principles calculations  
Carbon Monoxide Activation on Cobalt Carbide for Fischer-Tropsch Synthesis from First-Principles Theory 期刊论文
ACS CATALYSIS, 2019, 卷号: 9, 期号: 9, 页码: 8093-8103
Authors:  Chen, Pei-Pei;  Liu, Jin-Xun;  Li, Wei-Xue
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CO dissociation  cobalt carbide  phase diagram  DFT calculation  active phase  Fischer-Tropsch synthesis  
Three-Dimensional Ordered Macroporous Metal-Organic Framework Single Crystal-Derived Nitrogen-Doped Hierarchical Porous Carbon for High-Performance Potassium-Ion Batteries 期刊论文
NANO LETTERS, 2019, 卷号: 19, 期号: 8, 页码: 4965-4973
Authors:  Zhou, Xuefeng;  Chen, Lanlan;  Zhang, Wenhua;  Wang, Jiawei;  Liu, Zhenjie;  Zeng, Sifan;  Xu, Rui;  Wu, Ying;  Ye, Shufen;  Feng, Yuezhan;  Cheng, Xiaolong;  Peng, Zhangquan;  Li, Xifei;  Yu, Yan
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Ordered interconnected macropores  in situ Raman spectra  carbon  nitrogen doping  potassium-ion batteries  
Single Ru Sites-Embedded Rutile TiO2 Catalyst for Non-Oxidative Direct Conversion of Methane: A First-Principles Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 23, 页码: 14391-14397
Authors:  Ma, Xiufang;  Sun, Keju;  Liu, Jin-Xun;  Li, Wei-Xue;  Cai, Xingmin;  Su, Hai-Yan
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Persistent zinc-ion storage in mass-produced V2O5 architecture 期刊论文
NANO ENERGY, 2019, 卷号: 60, 页码: 171-178
Authors:  Chen, Dong;  Rui, Xianhong;  Zhang, Qi;  Geng, Hongbo;  Gan, Liyong;  Zhang, Wei;  Li, Chengchao;  Huang, Shaoming;  Yu, Yan
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Mass production  Zinc-ion battery  V2O5 cathode  Porous structure  High performance  
Oxygen vacancy mediated La1-xCexFeO3-delta perovskite oxides as efficient catalysts for CWAO of acrylic acid by A-site Ce doping 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 245, 页码: 20-28
Authors:  Sun, Wenjing;  Wei, Huangzhao;  An, Lu Yang;  Jin, Chengyu;  Wu, Huiling;  Xiong, Zi-ang;  Pu, Chunying;  Sun, Chenglin
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Catalytic wet air oxidation  La1-xCexFeO3-delta  Synergistic mechanism  Generalized kinetic model  First-principles calculations  
Influence of Cobalt Crystal Structures on Activation of Nitrogen Molecule: A First-Principles Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 17, 页码: 10956-10966
Authors:  Zhang, Bing-Yan;  Chen, Pei-Pei;  Liu, Jin-Xun;  Su, Hai-Yan;  Li, Wei-Xue
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Computational understanding of the structural and electronic properties of the GeS-graphene contact 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 14, 页码: 7447-7453
Authors:  Chen, Hong;  Zhao, Jinfeng;  Huang, Jindou;  Liang, Yan
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Interplay Between Site Activity and Density of BCC Iron for Ammonia Synthesis Based on First-Principles Theory 期刊论文
CHEMCATCHEM, 2019, 卷号: 11, 期号: 7, 页码: 1928-1934
Authors:  Zhang, Bing-Yan;  Su, Hai-Yan;  Liu, Jin-Xun;  Li, Wei-Xue
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Heterogeneous Catalysis  Density Functional Calculations  Iron  Kinetics  Ammonia synthesis  
Broad-Band Emission in a Zero-Dimensional Hybrid Organic [PbBr6] Trimer with Intrinsic Vacancies 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 卷号: 10, 期号: 6, 页码: 1337-1341
Authors:  Zhou, Jun;  Li, Mingze;  Ning, Lixin;  Zhang, Ruiling;  Molokeev, Maxim S.;  Zhao, Jing;  Yang, Songqiu;  Han, Keli;  Xia, Zhiguo
Favorite  |  View/Download:6/0  |  Submit date:2019/06/20