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

doi:10.1002/cssc.201500752

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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Abstract

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 (O^δ−, δ<2) upon charging Li₃Fe₂(PO₄)₃ to 4.7 V.

Original language	English
Journal	ChemSusChem (Print)
Volume	8
Issue number	19
Pages (from-to)	3213-3216
Number of pages	4
ISSN	1864-5631
DOIs	https://doi.org/10.1002/cssc.201500752
Publication status	Published - 2015

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

abstract = "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.",

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AU - Younesi, Reza

AU - Christiansen, Ane Sælland

AU - Loftager, Simon

AU - García Lastra, Juan Maria

AU - Vegge, Tejs

AU - Norby, Poul

AU - Holtappels, Peter

PY - 2015

Y1 - 2015

N2 - 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.

AB - 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.

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DO - 10.1002/cssc.201500752

M3 - Journal article

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