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Phys Chem Chem Phys. 2014 Feb 21;16(7):3254-60. doi: 10.1039/c3cp54588a.

A XANES study of LiVPO4F: a factor analysis approach.

Physical chemistry chemical physics : PCCP

Ying Piao, Yan Qin, Yang Ren, Steve M Heald, Chengjun Sun, Dehua Zhou, Bryant J Polzin, Steve E Trask, Khalil Amine, Yinjin Wei, Gang Chen, Ira Bloom, Zonghai Chen

Affiliations

  1. Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), College of Physics, Jilin University, Changchun, 130012, P. R. China.

PMID: 24407021 DOI: 10.1039/c3cp54588a

Abstract

Evolving factor analysis (EFA) of X-ray absorption near-edge spectroscopy (XANES) data is shown to be a useful tool to understand the phase relationships and compositional ranges of stability in the LiVPO4F-VPO4F system. EFA was used to calculate the concentration of phases versus state-of-charge in a lithium-ion battery and true XANES spectra. The results of EFA showed that, indeed, three phases were present during cycling of a LiVPO4F∥Li cell: LiVPO4F, LixVPO4F, and VPO4F. In contrast to what was reported by others, the second phase was not a fixed composition with x = 0.67, but, instead, existed over a range of lithium stoichiometry, x = 0.25 to 0.80. EFA results also showed that the reactions leading to these phases are reversible.

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