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Title: Non-MT Determination of X-Ray Absorption Cross-Section's Factorized Atomic Part in the Near-Edge Region. Application to Si K-Edge XANES Analysis in Beta-Zeolites

Abstract

An algorithm and code for the determination of the factorized atomic part of the absorption cross-section from experimental spectra in the XANES region were generated and tested on Al and Si K-edge XANES in reference compounds and applied to zeolite Beta with various Si/Al ratios. However, replacement of the theoretically determined background with the experimental absorption cross-section significantly improved the agreement with experiment. The spectral analysis showed that the XANES region can be used to extract detailed structural information when the Muffin-tin approximation can be avoided. Asymmetry in the silicon oxide tetrahedron was observed when increasing the aluminum content of the zeolite.

Authors:
; ;  [1];  [2]
  1. Physical Department of Rostov State University, Zorge str., 5, Rostov-on-Don, 344090 (Russian Federation)
  2. Institute for Chemical and Bioengineering, ETH Zurich, 8093 Zurich (Switzerland)
Publication Date:
OSTI Identifier:
21054569
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 882; Journal Issue: 1; Conference: XAFS13: 13. international conference on X-ray absorption fine structure, Stanford, CA (United States), 9-14 Jul 2006; Other Information: DOI: 10.1063/1.2644446; (c) 2007 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ABSORPTION SPECTRA; ABSORPTION SPECTROSCOPY; ALGORITHMS; ALUMINIUM; APPROXIMATIONS; ASYMMETRY; CROSS SECTIONS; MUFFIN-TIN POTENTIAL; SILICON; SILICON OXIDES; X RADIATION; X-RAY SPECTRA; X-RAY SPECTROSCOPY; ZEOLITES

Citation Formats

Bugaev, L. A., Avakyan, L. A., Latokha, Ya. V., and Bokhoven, J. A. van. Non-MT Determination of X-Ray Absorption Cross-Section's Factorized Atomic Part in the Near-Edge Region. Application to Si K-Edge XANES Analysis in Beta-Zeolites. United States: N. p., 2007. Web. doi:10.1063/1.2644446.
Bugaev, L. A., Avakyan, L. A., Latokha, Ya. V., & Bokhoven, J. A. van. Non-MT Determination of X-Ray Absorption Cross-Section's Factorized Atomic Part in the Near-Edge Region. Application to Si K-Edge XANES Analysis in Beta-Zeolites. United States. doi:10.1063/1.2644446.
Bugaev, L. A., Avakyan, L. A., Latokha, Ya. V., and Bokhoven, J. A. van. Fri . "Non-MT Determination of X-Ray Absorption Cross-Section's Factorized Atomic Part in the Near-Edge Region. Application to Si K-Edge XANES Analysis in Beta-Zeolites". United States. doi:10.1063/1.2644446.
@article{osti_21054569,
title = {Non-MT Determination of X-Ray Absorption Cross-Section's Factorized Atomic Part in the Near-Edge Region. Application to Si K-Edge XANES Analysis in Beta-Zeolites},
author = {Bugaev, L. A. and Avakyan, L. A. and Latokha, Ya. V. and Bokhoven, J. A. van},
abstractNote = {An algorithm and code for the determination of the factorized atomic part of the absorption cross-section from experimental spectra in the XANES region were generated and tested on Al and Si K-edge XANES in reference compounds and applied to zeolite Beta with various Si/Al ratios. However, replacement of the theoretically determined background with the experimental absorption cross-section significantly improved the agreement with experiment. The spectral analysis showed that the XANES region can be used to extract detailed structural information when the Muffin-tin approximation can be avoided. Asymmetry in the silicon oxide tetrahedron was observed when increasing the aluminum content of the zeolite.},
doi = {10.1063/1.2644446},
journal = {AIP Conference Proceedings},
number = 1,
volume = 882,
place = {United States},
year = {Fri Feb 02 00:00:00 EST 2007},
month = {Fri Feb 02 00:00:00 EST 2007}
}