A XANES study of LiVPO4F: a factor analysis approach
文献情報
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
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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