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Method development of quantitative chemical state analysis by X-ray emission spectroscopy for lithium-ion battery materials

Published online by Cambridge University Press:  13 June 2025

Takumi Ohta Open the ORCID record for Takumi Ohta [Opens in a new window] ,
Hikari Takahara  and
Hironori Kobayashi
Takumi Ohta*
Affiliation:
https://ror.org/01z4jpw82Rigaku Corporation, 14-8 Akaoji-cho, Takatsuki, Osaka 569-1146, Japan
Hikari Takahara
Affiliation:
https://ror.org/01z4jpw82Rigaku Corporation, 14-8 Akaoji-cho, Takatsuki, Osaka 569-1146, Japan
Hironori Kobayashi
Affiliation:
https://ror.org/01703db54National Institute of Advanced Industrial Science and Technology, 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577, Japan
*
Corresponding author: Takumi Ohta; Email: t-ota@rigaku.co.jp
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Abstract

We studied the spectral analysis of X-ray emission spectroscopy for lithium-ion battery materials during the disproportionation reaction driven by heat treatment. To improve the quantitative analysis of chemical states, we consider the contribution of unstable chemical states in the peak deconvolution. We first applied a linear combination fitting (LCF) to the residuals, assuming an asymmetric Lorentzian peak, which was obtained for the unstable chemical component. Since LCF requires a set of known spectra for peak deconvolution, we develop the LCF for spectral analysis, including unknown chemical states. Both quantification results show a similar trend in the temperature dependence of the heat treatment. With the latter method, we can quantify the samples, including unknown chemical compounds, even when that compound does not have a known X-ray emission spectrum.

Keywords

X-ray emission spectroscopylithium-ion batterysemi-supervisor optimizationspectral analysislinear combination fittingdeconvolution
Type
Proceedings Paper
Information
Powder Diffraction , First View , pp. 1 - 5
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Copyright
© The Author(s), 2025. Published by Cambridge University Press on behalf of International Centre for Diffraction Data

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References

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