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

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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) ... continued below

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16 p.

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Totir, D.; Bae, I.T.; Hu, Y.; Scherson, D.A. & Antonio, M.R. December 31, 1996.

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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.

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16 p.

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OSTI as DE97004054

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  • 190. meeting of the Electrochemical Society and technical exhibition, San Antonio, TX (United States), 6-11 Oct 1996

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  • Other: DE97004054
  • Report No.: ANL/CHM/CP--92452
  • Report No.: CONF-961040--23
  • Grant Number: W-31109-ENG-38
  • Office of Scientific & Technical Information Report Number: 459348
  • Archival Resource Key: ark:/67531/metadc682175

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  • December 31, 1996

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  • July 25, 2015, 2:21 a.m.

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  • Dec. 14, 2015, 6:38 p.m.

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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, article, December 31, 1996; Illinois. (digital.library.unt.edu/ark:/67531/metadc682175/: accessed April 20, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.