Thermal Stabilities of Delithiated Olivine MPO[subscript 4] (M=Fe,Mn) Cathodes investigated using First Principles Calculations

Thermal Stabilities of Delithiated Olivine MPO[subscript 4] (M=Fe,Mn) Cathodes investigated using First Principles Calculations

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 t...

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Bibliographic Details
Main Authors:	Ong, Shyue Ping, Jain, Anubhav, Hautier, Geoffroy, Kang, ByoungWoo, Ceder, Gerbrand
Other Authors:	Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format:	Article
Language:	en_US
Published:	Elsevier B.V. 2012
Online Access:	http://hdl.handle.net/1721.1/69654

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