Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 16, Issue 7, Pages 3254-3260Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3cp54588a
Keywords
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Funding
- U.S. Department of Energy (DOE), Office of Vehicle Technologies [DE-AC02-06CH11357]
- National Nature Science Foundation of China [51272088]
- research program of Jilin Province for young scientists [201101058]
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences
- U.S. Department of Energy, Basic Energy Sciences
- Natural Sciences and Engineering Research Council of Canada
- University of Washington
- Canadian Light Source
- Advanced Photon Source
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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 LiVPO(4)FJLi 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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