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Title: EXAFS energy shift and structural parameters.

Abstract

In EXAFS analysis, the energy shift parameter is used to align the theoretical calculated spectrum to the energy grid of the measured spectrum. Unrealistically large energy shift values, sometimes in excess of 20 eV, are at times published in research articles. We therefore see the need for a concise discussion of the EXAFS energy shift parameter. This paper is intended as a learning tool for the proper alignment of theory to measured EXAFS spectra and proper interpretation of the energy shift parameter.

Authors:
; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
973751
Report Number(s):
ANL/BIO/CP-119075
TRN: US201006%%964
DOE Contract Number:  
DE-AC02-06CH11357
Resource Type:
Conference
Resource Relation:
Conference: 13th International Conference on X-ray Absorption Fine Structure (XAFS13); Jul. 9, 2006 - Jul. 14, 2006; Stanford, CA
Country of Publication:
United States
Language:
ENGLISH
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION SPECTROSCOPY; X-RAY SPECTROSCOPY; ALIGNMENT; FINE STRUCTURE; SPECTRA; DATA ANALYSIS

Citation Formats

Kelly, S. D., Ravel, B., and Biosciences Division. EXAFS energy shift and structural parameters.. United States: N. p., 2007. Web. doi:10.1063/1.2644451.
Kelly, S. D., Ravel, B., & Biosciences Division. EXAFS energy shift and structural parameters.. United States. doi:10.1063/1.2644451.
Kelly, S. D., Ravel, B., and Biosciences Division. Mon . "EXAFS energy shift and structural parameters.". United States. doi:10.1063/1.2644451.
@article{osti_973751,
title = {EXAFS energy shift and structural parameters.},
author = {Kelly, S. D. and Ravel, B. and Biosciences Division},
abstractNote = {In EXAFS analysis, the energy shift parameter is used to align the theoretical calculated spectrum to the energy grid of the measured spectrum. Unrealistically large energy shift values, sometimes in excess of 20 eV, are at times published in research articles. We therefore see the need for a concise discussion of the EXAFS energy shift parameter. This paper is intended as a learning tool for the proper alignment of theory to measured EXAFS spectra and proper interpretation of the energy shift parameter.},
doi = {10.1063/1.2644451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jan 01 00:00:00 EST 2007},
month = {Mon Jan 01 00:00:00 EST 2007}
}

Conference:
Other availability
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