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Molecules 2019, 24(2), 291; https://doi.org/10.3390/molecules24020291

Investigation of the Phase Transition Mechanism in LiFePO4 Cathode Using In Situ Raman Spectroscopy and 2D Correlation Spectroscopy during Initial Cycle

1
Department of Chemistry, Institute for Molecular Science and Fusion Technology, Kangwon National University, Chuncheon 24341, Korea
2
Department of Nano Applied Engineering, Kangwon National University, Chuncheon 24341, Korea
3
Department of Materials Science and Engineering, University of Delaware, Newark, DE 19716, USA
The authors (Y.Park and S.M. Kim) contributed equally to this work.
*
Authors to whom correspondence should be addressed.
Received: 10 December 2018 / Revised: 27 December 2018 / Accepted: 8 January 2019 / Published: 14 January 2019
(This article belongs to the Special Issue Raman Spectroscopy: A Spectroscopic 'Swiss-Army Knife')
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Abstract

The phase transition of the LiFePO4 and FePO4 in Li-ion cell during charging-discharging processes in the first and second cycles is elucidated by Raman spectroscopy in real time. In situ Raman spectroscopy showed the sudden phase transition between LiFePO4 and FePO4. Principal component analysis (PCA) results also indicated that the structural changes and electrochemical performance (charge-discharge curve) are correlated with each other. Phase transition between LiFePO4 and FePO4 principally appeared in the second charging process compared with that in the first charging process. 2D correlation spectra provided the phase transition mechanism of LiFePO4 cathode which occurred during the charging-discharging processes in the first and second cycles. PCA and 2D correlation spectroscopy are very helpful methods to understand in situ Raman spectra for the Li-ion battery.
Keywords: Li-ion Battery; LiFePO4; two-dimensional correlation spectroscopy; in situ Raman spectroscopy Li-ion Battery; LiFePO4; two-dimensional correlation spectroscopy; in situ Raman spectroscopy
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Park, Y.; Kim, S.M.; Jin, S.; Lee, S.M.; Noda, I.; Jung, Y.M. Investigation of the Phase Transition Mechanism in LiFePO4 Cathode Using In Situ Raman Spectroscopy and 2D Correlation Spectroscopy during Initial Cycle. Molecules 2019, 24, 291.

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