Thermal Stabilities of Delithiated Olivine MPO[subscript 4] (M=Fe,Mn) Cathodes investigated using First Principles Calculations
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ShortCommunicationsMnPO4.pdf
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Author(s)
Ong, Shyue Ping
Jain, Anubhav
Hautier, Geoffroy
Kang, ByoungWoo
Ceder, Gerbrand
Alternative Title
Thermal stabilities of delithiated olivine MPO4 (M = Fe, Mn) cathodes investigated using first principles calculations
Date Issued
March 2010
Journal
Electrochemistry Communications
Publisher
Elsevier B.V.
Citation
Ong, Shyue Ping et al. “Thermal Stabilities of Delithiated Olivine MPO[subscript 4] (M=Fe, Mn) Cathodes Investigated Using First Principles Calculations.” Electrochemistry Communications 12.3 (2010): 427–430.
Version
Author's final manuscript
Abstract
We present an analysis of the thermal reduction of delithiated LiMnPO[subscript 4] and LiFePO[subscript 4] based on the quarternary phase diagrams as calculated from first principles. Our results confirm the recent experimental findings that MnPO[subscript 4] decomposes at a much lower temperature than FePO[subscript 4], thereby potentially posing larger safety issues for LiMnPO[subscript 4] cathodes. We find that while substantial oxygen is released as MnPO[subscript 4] reduces to Mn[subscript 2]P[subscript 2]O[subscript 7], the mixed valence phases that form in the decomposition process of FePO[subscript 4] limit the amount of oxygen evolved.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
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Creative Commons Attribution-Noncommercial-Share Alike 3.0
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DOI of Published Version
https://doi.org/10.1016/j.elecom.2010.01.010
