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Investigation of Electronic Conductivity and Occupancy Sites of Mo Doped into LiFePO4 by ab Initio Calculation and X-ray Absorption Spectroscopy
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)
2008
发表期刊JOURNAL OF PHYSICAL CHEMISTRY C
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
文章类型Article
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.
学科领域Chemistry; Science & Technology - Other Topics; Materials Science
研究领域[WOS]Chemistry ; Science & Technology - Other Topics ; Materials Science ; Chemistry ; Science & Technology - Other Topics ; Materials Science
DOI10.1021/jp801497z
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语种英语
研究领域[WOS]Chemistry ; Science & Technology - Other Topics ; Materials Science ; Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS类目Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS记录号WOS:000260533200063
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被引频次:44[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/240200
专题多学科研究中心
粒子天体物理中心
作者单位中国科学院高能物理研究所
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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.
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