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@INPROCEEDINGS{Gonde:908762,
      author       = {Gonde, Shivani and Yazhenskikh, Elena and Müller, Michael},
      title        = {{T}hermodynamic modelling of {NASICON} sub-system
                      {Z}r{O}2-{S}i{O}2-{P}2{O}5},
      reportid     = {FZJ-2022-02818},
      year         = {2022},
      abstract     = {Solid state electrolytes are the key for improving the
                      safety and practicability of batteries. NASICON (Na Super
                      Ionic Conductor) is proposed as replacement for β″-Al2O3,
                      as it has excellent structural strength and conductivity due
                      to its structure wherein Na migrates in 3D voids providing
                      ionic conductivity of 0.2 S·cm-1 (300 °C). Processing
                      temperature is relatively low (~700 °C), high Na abundance
                      makes it cheaper than Li-ion batteries.The NASICON phase
                      with formula Na1+xZr2SixP3-xO12 [0≤x≤3] is part of the
                      complex Na2O-SiO2-P2O5-ZrO2 system which is found to be
                      conductive. For successful material design, thermodynamic
                      properties (phase equilibria, heat capacity, stability,
                      etc.) for all sub¬systems must be known, and for prediction
                      of properties, a reliable and consistent database is
                      cardinal. To achieve this, a thermodynamic database of the
                      quaternary oxide system including the NASICON phase is being
                      developed using CALPHAD method.As part of this development,
                      the binary systems ZrO2-P2O5 and ZrO2-SiO2 were studied
                      which are later employed to envision the ternary
                      ZrO2-SiO2-P2O5 system. All the available data from
                      literature was critically analyzed and employed for
                      modelling. Modified associate species model was used to
                      describe the liquid phase. The phase equilibria predicted by
                      the new datasets are in excellent agreement with the
                      experimental data. Preliminary calculation of the ternary
                      system was performed by extrapolation of the binaries, and
                      the subsolidus equilibria matches to the experimental data.},
      month         = {May},
      date          = {2022-05-22},
      organization  = {CALPHAD XLIX, Stockholm (Sweden), 22
                       May 2022 - 27 May 2022},
      subtyp        = {After Call},
      cin          = {IEK-2},
      cid          = {I:(DE-Juel1)IEK-2-20101013},
      pnm          = {1223 - Batteries in Application (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1223},
      typ          = {PUB:(DE-HGF)6},
      url          = {https://juser.fz-juelich.de/record/908762},
}