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CORC

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First-principles calculations of photoluminescence and defect states of Ce3+-doped (Ca/Sr)(2)B5O9Cl 期刊论文
PHYSICAL REVIEW B, 2019, 卷号: 99
作者:  Cai, Jiajia;  Jing, Weiguo;  Cheng, Jun;  Zhang, Yongfan;  Chen, Yonghu
收藏  |  浏览/下载：4/0  |  提交时间：2019/11/21
First-principles Calculations of Ordering Behavior and Mechanical Properties of Al-3(Sc0.75M0.25)(M=Ti, Y, Zr and Hf) Intermetallics 期刊论文
RARE METAL MATERIALS AND ENGINEERING, 2019, 卷号: 48, 页码: 879-884
作者:  Zhou Zeyou;  Wu Bo;  Zheng Xiaoqing;  Hu Kangming;  Chen Kailu
收藏  |  浏览/下载：6/0  |  提交时间：2019/11/21
Efficient ammonia synthesis over a core-shell Ru/CeO2 catalyst with a tunable CeO2 size: DFT calculations and XAS spectroscopy studies 期刊论文
INORGANIC CHEMISTRY FRONTIERS, 2019, 卷号: 6, 页码: 396-406
作者:  Wang, Xiuyun;  Peng, Xuanbei;  Zhang, Yongfan;  Ni, Jun;  Au, Chak-tong
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/21
A chemical-bond-driven edge reconstruction of Sb nanoribbons and their thermoelectric properties from first-principles calculations 期刊论文
RSC ADVANCES, 2019, 卷号: 9, 页码: 1047-1054
作者:  Shen, Jin-Ni;  Fang, Yi;  Lin, Zi-Xiong;  Xie, Tian-Zhu;  Zhang, Yong-Fan
收藏  |  浏览/下载：1/0  |  提交时间：2019/11/21
Prediction of site occupancy of C15 Laves phase at finite temperature based on quasi-harmonic approximation model 期刊论文
INTERMETALLICS, 2018, 卷号: 96, 页码: 33-40
作者:  Wei, Zhenyi;  Yang, Yixu;  Huang, Jinchang;  Wu, Bo;  Sa, Baisheng
收藏  |  浏览/下载：11/0  |  提交时间：2019/11/21
Structural Evolution and Chemical Bonding of Diniobium Boride Clusters Nb2Bx-/0 (x=1-6): Hexagonal-Bipyramidal Nb2B6-/0 Species 期刊论文
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2018, 页码: 940-950
作者:  Wang, Bin;  Xie, Lu;  Liu, Xiu-Juan;  Chen, Wen-Jie;  Zhang, Yong-Fan
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/21
Correlating DFT Calculations with CO Oxidation Reactivity on Ga-Doped Pt/CeO2 Single-Atom Catalysts 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 页码: 22460-22468
作者:  Feng, Yingxin;  Wang, Qiang;  Xiong, Haifeng;  Zhou, Shulan;  Chen, Xun
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/21
Energy storage properties of selectively functionalized Cr-group MXenes 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 150, 页码: 236-243
作者:  Zou, Xiangda;  Li, Guorong;  Wang, Qifan;  Tang, Dian;  Wu, Bo
收藏  |  浏览/下载：2/0  |  提交时间：2019/11/21
Microstructures and thermodynamic properties of high-entropy alloys CoCrCuFeNi 期刊论文
INTERMETALLICS, 2018, 卷号: 93, 页码: 40-46
作者:  Wu, Bo;  Xie, Zheyu;  Huang, Jinchang;  Lin, Jinwei;  Yang, Yixu
收藏  |  浏览/下载：10/0  |  提交时间：2019/11/21
Phosphomolybdic acid supported single-metal-atom catalysis in CO oxidation: first-principles calculations 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 页码: 20661-20668
作者:  Yu, Ming-an;  Feng, Yingxin;  Gao, Liye;  Lin, Sen
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/21

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