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@ARTICLE{Dashjav:1026279,
      author       = {Dashjav, Enkhtsetseg and Gerhards, Marie-Theres and Klein,
                      Felix and Grüner, Daniel and Hansen, Thomas C. and Rohrer,
                      Jochen and Albe, Karsten and Fattakhova-Rohlfing, Dina and
                      Tietz, Frank},
      title        = {{P}hase-field determination of {N}a{SICON} materials in the
                      quaternary system {N}a2{O}-{P}2{O}5-{S}i{O}2-{Z}r{O}2: {II}.
                      {G}lass-ceramics and the phantom of excessive vacancy
                      formation},
      journal      = {Next energy},
      volume       = {4},
      issn         = {2949-821X},
      address      = {[Amsterdam]},
      publisher    = {Elsevier},
      reportid     = {FZJ-2024-03358},
      pages        = {100130 -},
      year         = {2024},
      abstract     = {This work focuses on a very narrow region in the quaternary
                      system Na2O-P2O5-SiO2-ZrO2 to explore the occasionally
                      proposed deficiency in zirconium and oxygen content of Na+
                      super-ionic conductor (NaSICON) materials. In addition, this
                      region is known for the formation of glass-ceramics, but a
                      systematic study of such materials has not been carried out
                      yet. For this purpose, 2 series of compositions were defined
                      and synthesized: Na3.4Zr2-3x/4Si2.4-x/4P0.6+x/4O12-11x/8 and
                      Na3.4Zr2-3x/4Si2.4+x/4P0.6+1.5x/4O12-x/16. They only differ
                      in the silicate and phosphate content. In the first series
                      the molar content is constant, nSi + nP = 3. The latter
                      series allows an excess of the 2 cations to meet the
                      composition Na3.1Zr1.55Si2.3P0.7O11 or alternatively
                      re-written as Na3.4Zr1.7Si2.52P0.77Ol2, which was formerly
                      regarded as a superior material to the frequently reported
                      composition Na3Zr2Si2POl2.Several characterization
                      techniques were applied to better understand the
                      relationships between phase formation, processing, and
                      properties of the obtained glass ceramics in the context of
                      the quasi-quaternary phase diagram. The investigations gave
                      clear evidence that a glass phase is progressively formed
                      with increasing x. Therefore, compounds with x > 0.2
                      have to be regarded as glass-ceramic composites. The
                      resulting NaSICON materials revealed a very limited Zr
                      deficiency with charge compensation by Na ions and a
                      non-detectable amount of oxygen vacancies verified by
                      neutron scattering and atomistic simulations.Hence, this
                      work is the first systematic investigation of pretended
                      Zr-deficient NaSICON materials, which clearly show the
                      chemistry of a 2-phase region. The 2 investigated series are
                      directed toward a region that is orthogonal to the series
                      Na3Zr3-ySi2PyO11.5+y/2 reported in the first part of this
                      series of publications.},
      cin          = {IEK-1 / IEK-2},
      ddc          = {333.7},
      cid          = {I:(DE-Juel1)IEK-1-20101013 / I:(DE-Juel1)IEK-2-20101013},
      pnm          = {1222 - Components and Cells (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1222},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001470144100002},
      doi          = {10.1016/j.nxener.2024.100130},
      url          = {https://juser.fz-juelich.de/record/1026279},
}