Investigation of Electronic Conductivity and Occupancy Sites of Mo Doped into LiFePO4 by ab Initio Calculation and X-ray Absorption Spectroscopy
文献类型：期刊论文
| 作者 | Wang, ZL; Sun, SR; Xia, DG; Chu, WS ; Zhang, S; Wu, ZY; Chu WS(储旺盛); Zhang S(张硕); Wu ZY(吴自玉)
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| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
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| 出版日期 | 2008 |
| 卷号 | 112期号:44页码:17450-17455 |
| 通讯作者 | [Wang, Zhongli ; Sun, Shaorui ; Xia, Dingguo] Beijing Univ Technol, Coll Environm & Energy Engn, Beijing 100022, Peoples R China ; [Chu, Wangsheng ; Zhang, Shuo ; Wu, Ziyu] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China |
| 英文摘要 | Mo-doped LiFePO4 composite was synthesized by the solid state method, using (NH4)(6)MO7O24 center dot 4H(2)O as the starting doping material. The electrochemical properties of Mo-doped LiFePO4 were measured. The electronic structures of Mo-doped LiFePO4 were studied by ab initio calculations. With respect to the density of states (DOS) of the LiFePO4, in which no electronic states are at the Fermi level, the Mo doping is predicted largely impacting the conductivity. Experimental data of the electronic conductivity and of the electrochemical performance of Mo-doped LiFePO4 synthesized by a solid state reaction confirm the results of the calculations. To characterize the doped LiFePO4 structure and the type and the symmetry of the Mo sites, X-ray absorption spectroscopy (XAS) experiments were performed. |
| 学科主题 | Chemistry; Science & Technology - Other Topics; Materials Science |
| 类目[WOS] | Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary |
| 研究领域[WOS] | Chemistry ; Science & Technology - Other Topics ; Materials Science |
| 原文出处 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000260533200063 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/240200]  |
| 专题 | 高能物理研究所_多学科研究中心 高能物理研究所_粒子天体物理中心 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Wang, ZL,Sun, SR,Xia, DG,et al. Investigation of Electronic Conductivity and Occupancy Sites of Mo Doped into LiFePO4 by ab Initio Calculation and X-ray Absorption Spectroscopy[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2008,112(44):17450-17455. |
| APA | Wang, ZL.,Sun, SR.,Xia, DG.,Chu, WS.,Zhang, S.,...&吴自玉.(2008).Investigation of Electronic Conductivity and Occupancy Sites of Mo Doped into LiFePO4 by ab Initio Calculation and X-ray Absorption Spectroscopy.JOURNAL OF PHYSICAL CHEMISTRY C,112(44),17450-17455. |
| MLA | Wang, ZL,et al."Investigation of Electronic Conductivity and Occupancy Sites of Mo Doped into LiFePO4 by ab Initio Calculation and X-ray Absorption Spectroscopy".JOURNAL OF PHYSICAL CHEMISTRY C 112.44(2008):17450-17455. |
入库方式： OAI收割
来源：高能物理研究所
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