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Grand Canonical Monte Carlo Simulations on Phase Equilibria of Methane, Carbon Dioxide, and Their Mixture Hydrates 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 42, 页码: 9724-9737
Authors:  Qiu, Nianxiang;  Bai, Xiaojing;  Sun, Ningru;  Yu, Xiaohui;  Yang, Longbin;  Li, Yanjun;  Yang, Minghui;  Huang, Qing;  Du, Shiyu
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Molecular-dynamics Simulations  Equation-of-state  Clathrate Hydrate  Hydrogen Storage  Cage Occupancy  Gas-mixtures  Clapeyron Equation  Neon-hydrate  Co2 Capture  Dissociation  
Facile and Efficient Decontamination of Thorium from Rare Earths Based on Selective Selenite Crystallization 期刊论文
INORGANIC CHEMISTRY, 2018, 卷号: 57, 期号: 4, 页码: 1880-1887
Authors:  Wang, Yaxing;  Lu, Huangjie;  Xing Dai;  Tao Duan;  Bai, Xiaojing;  Cai, Yawen;  Yin, Xuemiao;  Chen, Lanhua;  Juan Diwu;  Du, Shiyu;  Zhou, Ruhong;  Chai, Zhifang;  Albrecht-Schmitt, Thomas E.;  Ning Liu;  Shuao Wang
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Generalized Gradient Approximation  Basis-sets  Licl-kcl  Separation  Elements  Density  Molecules  Uranium  Chemistry  Pseudopotentials  
A theoretical investigation and synthesis of layered ternary carbide system U-Al-C 期刊论文
CERAMICS INTERNATIONAL, 2018, 卷号: 44, 期号: 2, 页码: 1646-1652
Authors:  Bai, Xiaojing;  Deng, Qihuang;  Qiao, Yingjie;  Qiu, Nianxiang;  Zha, Xianhu;  Zhou, Jie;  Luo, Kan;  Zhou, Yuhong;  Huang, Qing;  Du, Shiyu
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Mechanical-properties  Physical-properties  Crystal-structure  Max Phases  Irradiation  Ti3alc2  Ti3sic2  Fuel  Tolerance  Ual3c3  
Grand Canonical Monte Carlo Simulations on Phase Equilibria of Methane, Carbon Dioxide, and Their Mixture Hydrates 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 42, 页码: 9724-9737
Authors:  Qiu, Nianxiang;  Bai, Xiaojing;  Sun, Ningru;  Yu, Xiaohui;  Yang, Longbin;  Li, Yanjun;  Yang, Minghui;  Huang, Qing;  Du, Shiyu
Favorite  |  View/Download:24/0  |  Submit date:2018/12/04
Molecular-dynamics Simulations  Equation-of-state  Clathrate Hydrate  Hydrogen Storage  Cage Occupancy  Gas-mixtures  Clapeyron Equation  Neon-hydrate  Co2 Capture  Dissociation  
用于镧/锕分离的绿色溶剂——离子液体的理论研究展望 期刊论文
应用技术学报, 2017, 期号: 02, 页码: 146-150
Authors:  白小静;  罗侃;  都时禹
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Rare earth separations by selective borate crystallization 期刊论文
NATURE COMMUNICATIONS, 2017, 卷号: 8, 页码: 14438
Authors:  Yin, Xuemiao;  Wang, Yaxing;  Bai, Xiaojing;  Wang, Yumin;  Chen, Lanhua;  Xiao, Chengliang;  Diwu, Juan;  Du, Shiyu;  Chai, Zhifang;  Albrecht-Schmitt, Thomas E.;  Wang, Shuao
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Negative differential resistance and rectifying performance induced by doped graphene nanoribbons p-n device 期刊论文
PHYSICS LETTERS A, 2016, 卷号: 380, 期号: 42623, 页码: 1049-1055
Authors:  Zhou, Yuhong;  Qiu, Nianxiang;  Li, Runwei;  Guo, Zhansheng;  Zhang, Jian;  Fang, Junfeng;  Huang, Aisheng;  He, Jian;  Zha, Xianhu;  Luo, Kan;  Yin, Jingshuo;  Li, Qiuwu;  Bai, Xiaojing;  Huang, Qing;  Du, Shiyu
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Uranyl Carboxyphosphonates Derived from Hydrothermal in Situ Ligand Reaction: Syntheses, Structures, and Computational Investigations 期刊论文
INORGANIC CHEMISTRY, 2015, 卷号: 54, 期号: 17, 页码: 8617-8624
Authors:  Wu, Dai;  Bai, Xiaojing;  Tian, Hong-Rui;  Yang, Weiting;  Li, Zewen;  Huang, Qing;  Du, Shiyu;  Sun, Zhong-Ming
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New insight into the helium-induced damage in MAX phase Ti3AlC2 by first-principles studies 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 143, 期号: 11, 页码: -
Authors:  Xu, Yiguo;  Bai, Xiaojing;  Zha, Xianhu;  Huang, Qing;  He, Jian;  Luo, Kan;  Zhou, Yuhong;  Germann, Timothy C.;  Francisco, Joseph S.;  Du, Shiyu
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