Polaron mobility and disordering of the sodium sublattice in triphylite-NaxFePO4

Tracy, S. J.; Mauger, L.; Smith, H. L.; Tan, H. J.; Herriman, J. E.; Xiao, Yuming; Fultz, B.

doi:10.1021/acs.chemmater.6b00226

Title: Polaron mobility and disordering of the sodium sublattice in triphylite-Na_xFePO₄

Journal Article · Fri Apr 15 00:00:00 EDT 2016 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.6b00226· OSTI ID:1338348

Tracy, S. J. ^[1]; Mauger, L. ^[1]; Smith, H. L. ^[1]; Tan, H. J. ^[1]; Herriman, J. E. ^[1]; Xiao, Yuming ^[2]; Fultz, B. ^[1]

Carnegie Inst. of Technology, Pasadena, CA (United States)
Carnegie Inst. of Washington, Argonne, IL (United States)

The interplay between sodium ordering and electron mobility in Na_xFePO₄ 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 tempertures between 298K 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. Mossbauer 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. Furthermore, the temperature evolution of the iron site occupancies from the Mossbauer 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.

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Research Organization:: Carnegie Inst. of Science, Argonne, IL (United States); Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)

DOE Contract Number:: NA0002006; SC0001057

OSTI ID:: 1338348

Journal Information:: Chemistry of Materials, Vol. 28, Issue 9; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

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