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Iterative Bragg peak removal on X-ray absorption spectra with automatic intensity correction.
Ryuichi Shimogawa1, Nicholas Marcella1, Christopher R O'Connor2
1Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, NY 11794, USA.
Journal of Synchrotron Radiation
|April 9, 2024
Summary
A new method, iterative Bragg peak removal with automatic intensity correction (IBR-AIC), effectively removes Bragg peak interference in X-ray absorption spectroscopy (XAS) for crystalline materials. This advancement improves XAS data precision for analyzing complex materials.
Area of Science:
- Materials Science
- Spectroscopy
- Solid-State Physics
Background:
- Bragg peaks in X-ray absorption spectroscopy (XAS) data complicate the analysis of crystalline materials.
- Accurate interpretation of XAS requires mitigation of artifacts like Bragg peak interference.
- Existing methods may lack robustness or require extensive manual intervention.
Purpose of the Study:
- To develop and validate a novel methodology for removing Bragg peak interference in XAS.
- To enhance the precision and reliability of XAS data analysis for crystalline samples.
- To provide a practical solution for Bragg peak contamination in XAS.
Main Methods:
- Introduction of iterative Bragg peak removal with automatic intensity correction (IBR-AIC).
- Integration of experimental adjustments and advanced post-processing techniques.
- Utilizes an iterative algorithm for scaling factor calculation and Bragg peak elimination.
Main Results:
- Demonstrated effectiveness of IBR-AIC on dilute catalysts and thin films using fluorescence mode and large-angle rotation.
- Achieved robust calculation of absorption coefficients and efficient Bragg peak removal.
- Highlighted the technique's adaptability and potential for improving XAS data precision.
Conclusions:
- IBR-AIC offers a significant advancement in XAS data analysis for crystalline materials.
- The method provides a pragmatic solution to Bragg peak contamination challenges.
- Potential limitations include sensitivity to signal-to-noise ratio and precise angle selection.
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