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Polaron Mobility and Disordering of the Sodium Sublattice in Triphylite-Na_xFePO_4

Tracy, S. J. and Mauger, L. and Smith, H. L. and Tan, H. J. and Herriman, J. E. and Xiao, Yuming and Fultz, B. (2016) Polaron Mobility and Disordering of the Sodium Sublattice in Triphylite-Na_xFePO_4. Chemistry of Materials, 28 (9). pp. 3051-3059. ISSN 0897-4756.

[img] PDF (NaxFePO4 (x = 0.54, 0.67, 0.97) Mössbauer spectra, Na0.73FePO4 down-temperature spectrum, selected fits from Figures 2 and 5 shown with residuals) - Supplemental Material
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The interplay between sodium ordering and electron mobility in Na_xFePO_4 was investigated using a combination of synchrotron X-ray diffraction and Mössbauer spectrometry. Synchrotron X-ray diffraction measurements were carried out for a range of temperatures between 298 and 553 K. Rietveld analysis of the diffraction patterns was used to determine the temperature of sodium redistribution on the lattice. This diffraction analysis also gives new information about the phase stability of the system. Mössbauer spectra were collected in the same temperature range. An analysis of the temperature evolution of the spectral shapes was used to identify the onset of fast electron hopping and determine the polaron hopping rate. The temperature evolution of the iron site occupancies from the Mössbauer measurements, combined with the synchrotron diffraction results, shows a relationship between the onset of fast electron dynamics and the loss of local order on the sodium sublattice.

Item Type:Article
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Fultz, B.0000-0002-6364-8782
Alternate Title:Polaron Mobility and Disordering of the Sodium Sublattice in Triphylite-NaxFePO4
Additional Information:© 2016 American Chemical Society. Received: January 19, 2016; Revised: April 14, 2016; Publication Date (Web): April 15, 2016. This work was supported as part of EFree, an Energy Frontier Research Center, under Award No. DE-SG0001057. Portions of this work were performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT operations are supported by DOE-NNSA under Award No. DE-NA0001974 and DOE-BES under Award No. DE-FG02-99ER45775, with partial instrumentation funding by NSF. The Advanced Photon Source is a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. The authors declare no competing financial interest.
Funding AgencyGrant Number
Department of Energy (DOE)DE-SG0001057
Department of Energy (DOE)DE-NA0001974
Department of Energy (DOE)DE-FG02-99ER45775
Department of Energy (DOE)DE-AC02-06CH11357
Issue or Number:9
Record Number:CaltechAUTHORS:20160502-134646874
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Official Citation:Polaron Mobility and Disordering of the Sodium Sublattice in Triphylite-NaxFePO4 S. J. Tracy, L. Mauger, H. L. Smith, H. J. Tan, J. E. Herriman, Yuming Xiao, and B. Fultz Chemistry of Materials 2016 28 (9), 3051-3059 DOI: 10.1021/acs.chemmater.6b00226
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:66587
Deposited By: Tony Diaz
Deposited On:02 May 2016 20:55
Last Modified:03 Oct 2019 09:57

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