Issue 7, 2014

A XANES study of LiVPO4F: a factor analysis approach

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.

Graphical abstract: A XANES study of LiVPO4F: a factor analysis approach

Article information

Article type
Paper
Submitted
30 Oct 2013
Accepted
13 Dec 2013
First published
10 Jan 2014

Phys. Chem. Chem. Phys., 2014,16, 3254-3260

A XANES study of LiVPO4F: a factor analysis approach

Y. Piao, Y. Qin, Y. Ren, S. M. Heald, C. Sun, D. Zhou, B. J. Polzin, S. E. Trask, K. Amine, Y. Wei, G. Chen, I. Bloom and Z. Chen, Phys. Chem. Chem. Phys., 2014, 16, 3254 DOI: 10.1039/C3CP54588A

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