| Cation mixing （Li0.5Fe0.5）2SO4F cathode material for lithium-ion batteries |
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| 引用本文： | 孙洋,刘磊,董金平,张斌,黄学杰.Cation mixing （Li0.5Fe0.5）2SO4F cathode material for lithium-ion batteries[J].中国物理 B,2011,20(12):126101-126101. |
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| 作者姓名： | 孙洋 刘磊 董金平 张斌 黄学杰 |
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| 作者单位： | Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China |
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| 基金项目： | Project supported by the National High Technology Research and Development Program of China (Grant No. 2009AA033101). |
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| 摘 要： |
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| 关 键 词： | 锂离子电池 混合结构 正极材料 阳离子 晶体结构 体积变化 放电过程 计算结果 |
| 收稿时间： | 2011-10-12 |
Cation mixing (Li0.5Fe0.5)2SO4F cathode material for lithium-ion batteries |
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| Sun Yang,Liu Lei,Dong Jin-Ping,Zhang Bin and Huang Xue-Jie.Cation mixing (Li0.5Fe0.5)2SO4F cathode material for lithium-ion batteries[J].Chinese Physics B,2011,20(12):126101-126101. |
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| Authors: | Sun Yang Liu Lei Dong Jin-Ping Zhang Bin and Huang Xue-Jie |
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| Institution: | Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China |
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| Abstract: | We study the crystal structure of a triplite-structured (Li0.5Fe0.5)SO4F with full Li+/Fe2+ mixing. This promising polyanion cathode material for lithium-ion batteries operates at 3.9 V versus Li+/Li with a theoretical capacity of 151 mAh/g. Its unique cation mixing structure does not block the Li+ diffusion and results in a small lattice volume change during the charge/discharge process. The calculations show that it has a three-dimensional network for Li-ion migration with an activation energy ranging from 0.53 eV to 0.68 eV, which is comparable with that in LiFePO4 with only one-dimensional channels. This work suggests that further exploring cathode materials with full cation mixing for Li-ion batteries will be valuable. |
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| Keywords: | lithium-ion battery cathode material triplite cation mixing |
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