X-ray absorption by a microgranular sample

Sample homogeneity on the microscopic scale is critical for the reliable interpretation of x-ray absorption spectra collected in transmission mode. Unfortunately, it is not always easy to ensure it in practice. Especially in studies of catalysts and functional materials, the microstructure of the sample can evolve during its operation and even become the key descriptor for understanding structure-property relationships of the material, as exemplified by the transformations taking place in technical iron-based catalysts for ammonia synthesis under operating conditions. Here we present a simple approach for the identification and quantification of the material's microgranular structure effect on its x-ray absorption spectrum. We demonstrate that the quantitative information on the sizes of microscopic sample particles can be extracted from the observed distortions in the x-ray absorption near-edge structure spectra. The obtained insight can also be used to correct for the artifacts in extended x-ray absorption fine structure fitting, associated with the presence of microscopic inhomogeneities in the sample.

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Publication Details

Journal
Physical review. B./Physical review. B
Published
2025-06-13
DOI
https://doi.org/10.1103/bqg7-kb24
Primary Topic
X-ray Spectroscopy and Fluorescence Analysis
Type
article
Field-Weighted Citation Impact
0.00

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article

X-ray absorption by a microgranular sample

David Kordus, Jette K. Mathiesen, Thomas Lunkenbein, Janis Timoshenko et al.
4 links
Physical review. B./Physical review. B
X-ray Spectroscopy and Fluorescence Analysis
article

X-ray absorption by a microgranular sample

David Kordus, Jette K. Mathiesen, Thomas Lunkenbein, Janis Timoshenko, Holger Ruland, Gereon Behrendt, Uta Hejral, Stephan J. Reitmeier, Robert T. Eckert, Beatriz Roldán Cuenya, Jan Folke, Patrik Zeller, F. Eylul Sarac Oztuna, Jihao Wang, Andreas Reitzmann, Zahra Gheisari
article en

Abstract

Sample homogeneity on the microscopic scale is critical for the reliable interpretation of x-ray absorption spectra collected in transmission mode. Unfortunately, it is not always easy to ensure it in practice. Especially in studies of catalysts and functional materials, the microstructure of the sample can evolve during its operation and even become the key descriptor for understanding structure-property relationships of the material, as exemplified by the transformations taking place in technical iron-based catalysts for ammonia synthesis under operating conditions. Here we present a simple approach for the identification and quantification of the material's microgranular structure effect on its x-ray absorption spectrum. We demonstrate that the quantitative information on the sizes of microscopic sample particles can be extracted from the observed distortions in the x-ray absorption near-edge structure spectra. The obtained insight can also be used to correct for the artifacts in extended x-ray absorption fine structure fitting, associated with the presence of microscopic inhomogeneities in the sample.

Physical review. B./Physical review. BVol. 112(2)
Fritz Haber Institute of the Max Planck Society (DE), Clariant (Germany) (DE), Max Planck Institute for Chemical Energy Conversion (DE), Clariant (United States) (US)
Villum Fonden, Diamond Light Source
Openalex Percentile: Top 80%
X-ray Spectroscopy and Fluorescence Analysis
DOIOpen Access PDFOpenAlex
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