期刊
ELECTROCHEMISTRY COMMUNICATIONS
卷 12, 期 3, 页码 427-430出版社
ELSEVIER SCIENCE INC
DOI: 10.1016/j.elecom.2010.01.010
关键词
Thermal stability; Olivine; Cathode; LiMnPO4; LiFePO4; MnPO4; FePO4; Density functional theory; Phase diagrams
资金
- BATT [DE-AC02-05CH11231]
- US Department of Energy [DE-FG02-05ER46253, DE-FG02-97ER25308]
- NSF [DMR-0606276]
- Robert Bosch Company
- Umicore
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [0819762, GRANTS:13714308] Funding Source: National Science Foundation
We present an analysis of the thermal reduction of delithiated LiMnPO4 and LiFePO4 based on the quarternary phase diagrams as calculated from first principles. Our results confirm the recent experimental findings that MnPO4 decomposes at a much lower temperature than FePO4, thereby potentially posing larger safety issues for LiMnPO4 cathodes. We find that while substantial oxygen is released as MnPO4 reduces to Mn2P2O7, the mixed valence phases that form in the decomposition process of FePO4 limit the amount of oxygen evolved. (C) 2010 Elsevier B.V. All rights reserved.
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