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@ARTICLE{Deng:909038,
      author       = {Deng, Zeyu and Mishra, Tara P. and Mahayoni, Eunike and Ma,
                      Qianli and Tieu, Aaron Jue Kang and Guillon, Olivier and
                      Chotard, Jean-Noël and Seznec, Vincent and Cheetham,
                      Anthony K. and Masquelier, Christian and Gautam,
                      Gopalakrishnan Sai and Canepa, Pieremanuele},
      title        = {{F}undamental investigations on the sodium-ion transport
                      properties of mixed polyanion solid-state battery
                      electrolytes},
      journal      = {Nature Communications},
      volume       = {13},
      number       = {1},
      issn         = {2041-1723},
      address      = {[London]},
      publisher    = {Nature Publishing Group UK},
      reportid     = {FZJ-2022-02976},
      pages        = {4470},
      year         = {2022},
      abstract     = {Lithium and sodium (Na) mixed polyanion solid electrolytes
                      for all-solid-statebatteries display some of the highest
                      ionic conductivities reported to date.However, the effect of
                      polyanion mixing on the ion-transport properties is stillnot
                      fully understood. Here,we focus onNa1+xZr2SixP3−xO12 (0
                      ≤ x ≤ 3) NASICONelectrolyte to elucidate the role of
                      polyanion mixing on the Na-ion transportproperties. Although
                      NASICON is a widely investigated system, transportproperties
                      derived from experiments or theory vary by orders of
                      magnitude.We use more than 2000 distinct ab initio-based
                      kinetic Monte Carlo simulationsto map the compositional
                      space of NASICON over various time ranges,spatial
                      resolutions and temperatures. Via electrochemical impedance
                      spectroscopymeasurements on samples with different sodium
                      content, we findthat the highest ionic conductivity (i.e.,
                      about 0.165 S cm–1 at 473 K) isexperimentally achieved in
                      Na3.4Zr2Si2.4P0.6O12, in line with simulations (i.e.,about
                      0.170 S cm–1 at 473 K). The theoretical studies indicate
                      that dopedNASICON compounds (especially those with a silicon
                      content x ≥ 2.4) canimprove the Na-ion mobility compared
                      to undoped NASICON compositions.},
      cin          = {IEK-1 / JARA-ENERGY},
      ddc          = {500},
      cid          = {I:(DE-Juel1)IEK-1-20101013 / $I:(DE-82)080011_20140620$},
      pnm          = {1221 - Fundamentals and Materials (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1221},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {35918385},
      UT           = {WOS:000836703600023},
      doi          = {10.1038/s41467-022-32190-7},
      url          = {https://juser.fz-juelich.de/record/909038},
}