Charge Localization in the Lithium Iron Phosphate Li3Fe2(PO4)3at High Voltages in Lithium-Ion Batteries

Reza Younesi, Ane Sælland Christiansen, Simon Loftager, Juan Maria García Lastra, Tejs Vegge, Poul Norby, Peter Holtappels

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Possible changes in the oxidation state of the oxygen ion in the lithium iron phosphate Li3Fe2(PO4)3 at high voltages in lithium-ion (Li-ion) batteries are studied using experimental and computational analysis. Results obtained from synchrotron-based hard X-ray photoelectron spectroscopy and density functional theory (DFT) show that the oxidation state of O2− ions is altered to higher oxidation states (Oδ−, δ<2) upon charging Li3Fe2(PO4)3 to 4.7 V.
Original languageEnglish
JournalChemSusChem (Print)
Issue number19
Pages (from-to)3213-3216
Number of pages4
Publication statusPublished - 2015


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