Oxidation of Fe Ions and Doping States in Chemically Deintercalated LiCr0.03Fe0.97PO4

We investigated the electronic structure of chemically deintercalated LiCr0.03Fe0.97PO4 by Fe 2p and O 1s X-ray absorption (XAS) spectroscopy. We analyzed the XAS spectra using atomic multiplet and band structure calculations. The Fe 2p XAS spectra confirm that Fe ions are in the Fe2+ state in LiFeP...

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Bibliographic Details
Published in:ECS electrochemistry letters 2013-01, Vol.2 (1), p.A14-A16
Main Authors: Abbate, M., Lala, S. M., Matsubara, E. Y., Rosolen, J. M.
Format: Article
Language:English
Online Access:Get full text
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Summary:We investigated the electronic structure of chemically deintercalated LiCr0.03Fe0.97PO4 by Fe 2p and O 1s X-ray absorption (XAS) spectroscopy. We analyzed the XAS spectra using atomic multiplet and band structure calculations. The Fe 2p XAS spectra confirm that Fe ions are in the Fe2+ state in LiFePO4, and that Cr doping does not affect this oxidation state. The Fe 2p XAS spectra of chemically Li-deintercalated LiCr0.03Fe0.97PO4 indicated a gradual oxidation from Fe2+ to Fe3+. The O 1s XAS spectra of LiFePO4 reflected Fe 3d states at the threshold, and additional Cr 3d induced states in LiCr0.03Fe0.97PO4. The O 1s XAS spectra showed that neither the Fe 3d nor the Cr 3d induced states are much affected by chemical Li deintercalation.
ISSN:2162-8726
2162-8734
DOI:10.1149/2.003302eel