A XANES study of LiVPO4F: A factor analysis approach

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

doi:10.1039/c3cp54588a

A XANES study of LiVPO₄F: A factor analysis approach

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

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

18 Citations (Scopus)

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, Li_xVPO ₄F, 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. This journal is © the Owner Societies 2014.

Original language	English
Pages (from-to)	3254-3260
Journal	Physical Chemistry Chemical Physics
Volume	16
Issue number	7
DOIs	https://doi.org/10.1039/c3cp54588a
Publication status	Published - 21 Feb 2014
Externally published	Yes

Bibliographical note

Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

SDG 7 Affordable and Clean Energy

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Cite this

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title = "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, LixVPO 4F, 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. This journal is {\textcopyright} the Owner Societies 2014.",

author = "Ying Piao and Yan Qin and Yang Ren and Heald, \{Steve M.\} and Chengjun Sun and Dehua Zhou and Polzin, \{Bryant J.\} and Trask, \{Steve E.\} and Khalil Amine and Yinjin Wei and Gang Chen and Ira Bloom and Zonghai Chen",

note = "Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].",

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doi = "10.1039/c3cp54588a",

language = "English",

volume = "16",

pages = "3254--3260",

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TY - JOUR

T1 - A XANES study of LiVPO4F

T2 - A factor analysis approach

AU - Piao, Ying

AU - Qin, Yan

AU - Ren, Yang

AU - Heald, Steve M.

AU - Sun, Chengjun

AU - Zhou, Dehua

AU - Polzin, Bryant J.

AU - Trask, Steve E.

AU - Amine, Khalil

AU - Wei, Yinjin

AU - Chen, Gang

AU - Bloom, Ira

AU - Chen, Zonghai

N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

PY - 2014/2/21

Y1 - 2014/2/21

N2 - 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, LixVPO 4F, 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. This journal is © the Owner Societies 2014.

AB - 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, LixVPO 4F, 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. This journal is © the Owner Societies 2014.

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U2 - 10.1039/c3cp54588a

DO - 10.1039/c3cp54588a

M3 - RGC 21 - Publication in refereed journal

SN - 1463-9076

VL - 16

SP - 3254

EP - 3260

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

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