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Title: In situ Fe K-edge X-ray absorption fine structure of a pyrite electrode in a Li/polyethylene oxide (LiClO{sub 4})/FeS{sub 2} battery environment

Abstract

Electronic and structural properties of materials generated by the reduction and subsequent oxidation of pyrite in a lithium-based solid polymer electrolyte have been examined by in situ fluorescence Fe K-edge X-ray absorption fine structure (XAFS) in a FeS{sub 2}/Li battery environment. The XAFS results obtained are consistent with the formation of metallic iron as one of the products of the full (4-electron) discharge, in agreement with information reported in other laboratories. Extended X-ray absorption fine structure (EXAFS) data reveal that a subsequent 2-electron or 4-electron recharge generates a species with a Fe-S bond distance identical to that of pyrite, d(Fe-S) = 2.259 {angstrom}, with no other clearly detectable interactions due to more distant atoms. Based on the similarities between the metrical parameters and other features in the X-ray absorption near edge structure (XANES), the ferrous sites in these species appear to be tetrahedrally coordinated, as in chalcopyrite (CuFeS{sub 2}), for which d(Fe-S) is 2.257 {angstrom}, and, thus, different than in Li{sub 2} FeS{sub 2}, a material that exhibits longer Fe-S distances.

Authors:
; ; ;  [1];  [2]
  1. Case Western Reserve Univ., Cleveland, OH (United States). Dept. of Chemistry
  2. Argonne National Lab., IL (United States). Chemistry Div.
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Energy Research, Washington, DC (United States)
OSTI Identifier:
459348
Report Number(s):
ANL/CHM/CP-92452; CONF-961040-23
ON: DE97004054; TRN: AHC29708%%13
DOE Contract Number:  
W-31109-ENG-38
Resource Type:
Conference
Resource Relation:
Conference: 190. meeting of the Electrochemical Society and technical exhibition, San Antonio, TX (United States), 6-11 Oct 1996; Other Information: PBD: [1996]
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; 36 MATERIALS SCIENCE; LITHIUM-SULFUR BATTERIES; PYRITE; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; X-RAY SPECTROSCOPY; ABSORPTION SPECTROSCOPY; POLYETHYLENE GLYCOLS; LITHIUM PERCHLORATES

Citation Formats

Totir, D, Bae, I T, Hu, Y, Scherson, D A, and Antonio, M R. In situ Fe K-edge X-ray absorption fine structure of a pyrite electrode in a Li/polyethylene oxide (LiClO{sub 4})/FeS{sub 2} battery environment. United States: N. p., 1996. Web.
Totir, D, Bae, I T, Hu, Y, Scherson, D A, & Antonio, M R. In situ Fe K-edge X-ray absorption fine structure of a pyrite electrode in a Li/polyethylene oxide (LiClO{sub 4})/FeS{sub 2} battery environment. United States.
Totir, D, Bae, I T, Hu, Y, Scherson, D A, and Antonio, M R. 1996. "In situ Fe K-edge X-ray absorption fine structure of a pyrite electrode in a Li/polyethylene oxide (LiClO{sub 4})/FeS{sub 2} battery environment". United States. https://www.osti.gov/servlets/purl/459348.
@article{osti_459348,
title = {In situ Fe K-edge X-ray absorption fine structure of a pyrite electrode in a Li/polyethylene oxide (LiClO{sub 4})/FeS{sub 2} battery environment},
author = {Totir, D and Bae, I T and Hu, Y and Scherson, D A and Antonio, M R},
abstractNote = {Electronic and structural properties of materials generated by the reduction and subsequent oxidation of pyrite in a lithium-based solid polymer electrolyte have been examined by in situ fluorescence Fe K-edge X-ray absorption fine structure (XAFS) in a FeS{sub 2}/Li battery environment. The XAFS results obtained are consistent with the formation of metallic iron as one of the products of the full (4-electron) discharge, in agreement with information reported in other laboratories. Extended X-ray absorption fine structure (EXAFS) data reveal that a subsequent 2-electron or 4-electron recharge generates a species with a Fe-S bond distance identical to that of pyrite, d(Fe-S) = 2.259 {angstrom}, with no other clearly detectable interactions due to more distant atoms. Based on the similarities between the metrical parameters and other features in the X-ray absorption near edge structure (XANES), the ferrous sites in these species appear to be tetrahedrally coordinated, as in chalcopyrite (CuFeS{sub 2}), for which d(Fe-S) is 2.257 {angstrom}, and, thus, different than in Li{sub 2} FeS{sub 2}, a material that exhibits longer Fe-S distances.},
doi = {},
url = {https://www.osti.gov/biblio/459348}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Dec 31 00:00:00 EST 1996},
month = {Tue Dec 31 00:00:00 EST 1996}
}

Conference:
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