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@ARTICLE{Sharma:878029,
      author       = {Sharma, Monika and Murugavel, Sevi and Kaghazchi, Payam},
      title        = {{P}olaron transport mechanism in maricite {N}a{F}e{PO}4:
                      {A} combined experimental and simulation study},
      journal      = {Journal of power sources},
      volume       = {469},
      issn         = {0378-7753},
      address      = {New York, NY [u.a.]},
      publisher    = {Elsevier},
      reportid     = {FZJ-2020-02585},
      pages        = {228348 -},
      year         = {2020},
      abstract     = {We report, for the first time, systematic investigations on
                      electronic properties of maricite NaFePO4 with different
                      crystallite sizes by a combined experimental and theoretical
                      approach. Ac impedance spectroscopy has been used to study
                      the polaron transport behaviour in maricite NaFePO4
                      structure with different crystallite sizes over a wide range
                      of temperatures. With the decrease in crystallite size, we
                      observe a polaronic conductivity enhancement of
                      approximately an order of magnitude at the nanoscale level
                      as compared with its bulk counterpart. The temperature
                      dependent dc conductivity has been analysed within the
                      framework of the Mott model of polaron hopping and various
                      physical parameters relevant for the polaron hopping process
                      were extracted. Additionally, by introducing an approximated
                      Mott model with calculated hole polaron migration barrier
                      from density functional theory, we evaluated the polaronic
                      conductivity as function of crystallite size in fair
                      agreement with experimental data. The enhanced polaronic
                      conductivity with crystallite size reduction is found to be
                      due to the combined effect of increased polaron
                      concentration, reduced hopping length, and lowered migration
                      barrier.},
      cin          = {IEK-1},
      ddc          = {620},
      cid          = {I:(DE-Juel1)IEK-1-20101013},
      pnm          = {131 - Electrochemical Storage (POF3-131)},
      pid          = {G:(DE-HGF)POF3-131},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000543866400005},
      doi          = {10.1016/j.jpowsour.2020.228348},
      url          = {https://juser.fz-juelich.de/record/878029},
}