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锕系氮化物燃料性质的第一性原理模拟研究进展 期刊论文
Scientia Sinica Chimica中国科学. 化学, 2017, 卷号: 47, 期号: 1, 页码: 92-99
Authors:  张玉娟;  周张健;  蓝建慧;  柴之芳;  石伟群
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锕系氮化物  缺陷  裂变产物  第一性原理  
Adsorption of uranyl species on hydroxylated titanium carbide nanosheet: A first-principles study 期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2016, 卷号: 308, 页码: 402-410
Authors:  Zhang YJ(张玉娟);  Lan JH(蓝建慧);  Wang L(王琳);  Wu QY(吴群燕);  Wang CZ(王聪芝);  Bo T(薄涛);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Zhang, YJ;  Lan, JH;  Wang, L;  Wu, QY;  Wang, CZ;  Bo, T;  Chai, ZF;  Shi, WQ
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Uranyl ion  Hydroxylated titanium carbide nanosheet  Adsorption mechanism  First-principles method  
Surface properties of NpO2 and water reacting with stoichiometric and reduced NpO2 (111), (110), and (100) surfaces from ab initio atomistic thermodynamics 期刊论文
SURFACE SCIENCE, 2016, 卷号: 644, 页码: 153-164
Authors:  Bo T(薄涛);  Lan JH(蓝建慧);  Zhang YJ(张玉娟);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Bo, T;  Lan, JH;  Zhao, YL;  Zhang, YJ;  He, CH;  Chai, ZF;  Shi, WQ
Adobe PDF(2198Kb)  |  Favorite  |  View/Download:414/1  WOS cited times:[0]  ADS cited times:[7]  |  Submit date:2016/08/29
First principles  Ab initio atomistic thermodynamics  Neptunium dioxide  Surface adsorption  Water  
Loading Actinides in Multilayered Structures for Nuclear Waste Treatment: The First Case Study of Uranium Capture with Vanadium Carbide MXene 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2016, 卷号: 8, 期号: 25, 页码: 16396-16403
Authors:  Wang L(王琳);  Yuan LY(袁立永);  Zhang YJ(张玉娟);  Zheng LR(郑黎荣);  Zhang J(张静);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Wang, L;  Yuan, LY;  Chen, K;  Zhang, YJ;  Deng, QH;  Du, SY;  Huang, Q;  Zheng, LR;  Zhang, J;  Chai, ZF;  Barsoum, MW;  Wang, XK;  Shi, WQ
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MXene  vanadium carbide  actinide  sorption  uranium  DFT calculation  EXAFS  
Theoretical investigation on the solution behaviors of Ba and Zr in uranium dinitride 期刊论文
SCIENCE CHINA-CHEMISTRY, 2015, 卷号: 58, 期号: 12, 页码: 1891-1897
Authors:  Zhang YJ(张玉娟);  Lan JH(蓝建慧);  Wu QY(吴群燕);  Wang CZ(王聪芝);  Bo T(薄涛);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Zhang;  Yujuan;  Lan;  Jianhui;  Wu;  Qunyan;  Wang;  Congzhi;  Bo;  Tao;  Chai;  Zhifang;  Shi;  Weiqun
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uranium dinitride  first-principles theory  thermodynamic property  bonding nature  
Theoretical Investigation on Incorporation and Diffusion Properties of Xe in Uranium Mononitride 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 卷号: 119, 期号: 11, 页码: 5783-5789
Authors:  Zhang YJ(张玉娟);  Lan JH(蓝建慧);  Wang CZ(王聪芝);  Wu QY(吴群燕);  Bo T(薄涛);  Chai ZF(柴之芳);  Shi WQ(石伟群);  Zhang, YJ;  Lan, JH;  Wang, CZ;  Wu, QY;  Bo, T;  Chai, ZF;  Shi, WQ
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博士后出站报告-铀金属氮化物的结构缺陷形成及扩散机理的理论研究 学位论文
, 北京: 中国科学院, 2015
Authors:  张玉娟
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密度泛函理论  裂变产物  铀金属氮化物  溶解  扩散行为  
First-Principles Study of Barium and Zirconium Stability in Uranium Mononitride Nuclear Fuels 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 卷号: 118, 期号: 26, 页码: 14579-14585
Authors:  Zhang YJ(张玉娟);  Lan JH(蓝建慧);  Bo T(薄涛);  Zhang, YJ;  Lan, JH;  Bo, T;  Wang, CZ;  Chai, ZF;  Shi, WQ;;  Wang CZ(王聪芝);  Chai ZF(柴之芳);  Shi WQ(石伟群)
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First-Principles Study of Water Reaction and H-2 Formation on UO2 (111) and (110) Single Crystal Surfaces 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2014, 卷号: 118, 期号: 38, 页码: 21935-21944
Authors:  Bo T(薄涛);  Lan JH(兰建慧);  Wang CZ(王聪芝);  Bo, T;  Lan, JH;  Wang, CZ;  Zhao, YL;  He, CH;  Zhang, YJ;  Chai, ZF;  Shi, WQ;  Zhang YJ(张玉娟);  Chai ZF(柴之芳);  Shi WQ(石伟群)
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First-principles study of water adsorption and dissociation on the UO2 (111), (110) and (100) surfaces 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2014, 卷号: 454, 期号: 1-3, 页码: 446-454
Authors:  Bo T(薄涛);  Lan JH(兰建慧);  Bo, T;  Lan, JH;  Zhao, YL;  Zhang, YJ;  He, CH;  Chai, ZF;  Shi, WQ;  Zhang YJ(张玉娟);  Chai ZF(柴之芳);  Shi WQ(石伟群)
Adobe PDF(2381Kb)  |  Favorite  |  View/Download:123/0  WOS cited times:[0]  ADS cited times:[16]  |  Submit date:2016/04/08