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@ARTICLE{Schlenz:908710,
      author       = {Schlenz, Hartmut and Baumann, Stefan and Meulenberg,
                      Wilhelm Albert and Guillon, Olivier},
      title        = {{T}he {D}evelopment of {N}ew {P}erovskite-{T}ype {O}xygen
                      {T}ransport {M}embranes {U}sing {M}achine {L}earning},
      journal      = {Crystals},
      volume       = {12},
      number       = {7},
      issn         = {2073-4352},
      address      = {Basel},
      publisher    = {MDPI},
      reportid     = {FZJ-2022-02779},
      pages        = {947 -},
      year         = {2022},
      abstract     = {The aim of this work is to predict suitable chemical
                      compositions for the development of new ceramic oxygen gas
                      separation membranes, avoiding doping with toxic cobalt or
                      expensive rare earths. For this purpose, we have chosen the
                      system Sr1−xBax(Ti1−y−zVyFez)O3−δ (cubic
                      perovskite-type phases). We have evaluated available
                      experimental data, determined missing crystallographic
                      information using bond-valence modeling and programmed a
                      Python code to be able to generate training data sets for
                      property predictions using machine learning. Indeed,
                      suitable compositions of cubic perovskite-type phases can be
                      predicted in this way, allowing for larger electronic
                      conductivities of up to σe = 1.6 S/cm and oxygen
                      conductivities of up to σi = 0.008 S/cm at T = 1173 K and
                      an oxygen partial pressure pO2 = 10−15 bar, thus enabling
                      practical applications.},
      cin          = {IEK-1 / JARA-ENERGY},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-1-20101013 / $I:(DE-82)080011_20140620$},
      pnm          = {1232 - Power-based Fuels and Chemicals (POF4-123)},
      pid          = {G:(DE-HGF)POF4-1232},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000832380100001},
      doi          = {10.3390/cryst12070947},
      url          = {https://juser.fz-juelich.de/record/908710},
}