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Updated: Jan 30, 2026
07:55
Elemental-sensitive Detection of the Chemistry in Batteries through Soft X-ray Absorption Spectroscopy and Resonant Inelastic X-ray Scattering
Published on: April 17, 2018
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Local Structure Study of Lanthanide Elements by X-Ray Absorption Near Edge Structure Spectroscopy
Hiroyuki Asakura1,2, Saburo Hosokawa1,2, Kentaro Teramura1,2
1Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, 1-30 Goryo-Ohara, Nishikyo-ku, Kyoto, 615-8245, Japan.
Chemical Record (New York, N.Y.)
|January 22, 2019
Summary
This study links lanthanide L-edge X-ray absorption near edge structure (XANES) spectra to local symmetry using experiments and simulations. A new criterion helps analyze local structures and resolve XANES spectral issues.
Area of Science:
- Materials Science
- Solid State Physics
- Spectroscopy
Background:
- Lanthanide (Ln) L-edge X-ray absorption near edge structure (XANES) spectroscopy is a powerful tool for probing electronic and local structural properties.
- Understanding the relationship between Ln L-edge XANES spectra and local symmetry is crucial for accurate material characterization.
Purpose of the Study:
- To systematically investigate the correlation between Ln L-edge XANES spectra and local symmetry.
- To develop a reliable method for determining local structures using XANES data.
- To address challenges in Ln L-edge XANES analysis, such as spectral resolution and site distribution.
Main Methods:
- Experimental measurement of Ln L-edge XANES spectra.
- Theoretical simulations using advanced computational methods.
- Development and application of a local structure index criterion.
Main Results:
- Ln L1 and L3-edge XANES spectra show distinct features directly related to the local symmetry around lanthanide ions.
- Experimental and theoretical results confirm the strong correlation between spectral features and local structural environments.
- A novel criterion combining XANES analysis and theoretical simulations is proposed for local structure determination.
Conclusions:
- Lanthanide L-edge XANES spectroscopy, when combined with theoretical simulations, provides valuable insights into local symmetry.
- The proposed local structure index offers a practical approach to analyze complex lanthanide materials.
- This work contributes to overcoming limitations in XANES spectral resolution and site distribution analysis for lanthanides.
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