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Mechanism of H adatoms improving the O-2 reduction reaction on the Zn-modified anatase TiO2 (101) surface studied by first principles calculation 期刊论文
DALTON TRANSACTIONS, 2018, 卷号: 47, 期号: 22, 页码: 7541-7550
Authors:  Liu, Liangliang;  Li, Chongyang;  Jiang, Man;  Li, Xiaodong;  Huang, Xiaowei;  Wang, Zhu;  Jia, Yu
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Influence of defect distribution on the thermoelectric properties of FeNbSb based materials 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 21, 页码: 14441-14449
Authors:  Guo, Shuping;  Yang, Kaishuai;  Zeng, Zhi;  Zhang, Yongsheng
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Recovering Intrinsic Fragmental Vibrations Using the Generalized Subsystem Vibrational Analysis 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 卷号: 14, 期号: 5, 页码: 2558-2569
Authors:  Tao, Yunwen;  Tian, Chuan;  Verma, Niraj;  Zou, Wenli;  Wang, Chao;  Cremer, Dieter;  Kraka, Elfi
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Distinguishing faceted oxide nanocrystals with O-17 solid-state NMR spectroscopy 期刊论文
NATURE COMMUNICATIONS, 2017, 卷号: 8, 期号: 无, 页码: 1-6
Authors:  Li, Yuhong;  Wu, Xin-Ping;  Jiang, Ningxin;  Lin, Ming;  Shen, Li;  Sun, Haicheng;  Wang, Yongzheng;  Wang, Meng;  Ke, Xiaokang;  Yu, Zhiwu;  Gao, Fei;  Dong, Lin;  Guo, Xuefeng;  Hou, Wenhua;  Ding, Weiping;  Gong, Xue-Qing;  Grey, Clare P.;  Peng, Luming
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铜基薄膜太阳能电池材料缺陷和光电性质的理论研究 学位论文
, 合肥: 中国科学技术大学, 2017
Authors:  韩苗苗
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Solvent Effect Inside the Nanocage of Zeolite Catalysts: A Combined Solid-State NMR Approach and Multiscale Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 31, 页码: 16921-16931
Authors:  Li, Guangchao;  Yi, Xianfeng;  Huang, Ling;  Jiang, Jizhou;  Yu, Zhiwu;  Liu, Zhiqiang;  Zheng, Anmin
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Mechanical, electronic and thermodynamic properties of hexagonal and orthorhombic U2Mo: A first-principle calculation 期刊论文
PROGRESS IN NUCLEAR ENERGY, 2017, 卷号: 99, 期号: 无, 页码: 110-118
Authors:  Chen, Ke;  Tian, Xiaofeng;  Yu, You;  You, Zhenjiang;  Ge, Liangquan;  Chen, Changlun
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U2mo  Elastic Properties  Phonon Dispersion Relations  Stress-strain Relations  Density Functional Theory  
Effect of grain size on the behavior of hydrogen/helium retention in tungsten: a cluster dynamics modeling 期刊论文
NUCLEAR FUSION, 2017, 卷号: 57, 期号: 8, 页码: 1-11
Authors:  Zhao, Zhe;  Li, Yonggang;  Zhang, Chuanguo;  Pan, Guyue;  Tang, Panfei;  Zeng, Zhi
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Cluster Dynamics Model  H/he Retention  Grain Size  Grain Boundaries  Dislocations  
High-pressure phase transition of alkali metal-transition metal deuteride Li2PdD2 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 23, 页码: 1-7
Authors:  Yao, Yansun;  Stavrou, Elissaios;  Goncharov, Alexander F.;  Majumdar, Arnab;  Wang, Hui;  Prakapenka, Vitali B.;  Epshteyn, Albert;  Purdy, Andrew P.
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石墨烯基材料与环境污染物相互作用机理研究 学位论文
, 合肥: 中国科学技术大学, 2017
Authors:  于淑君
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