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@ARTICLE{Hirschfeld:153698,
      author       = {Hirschfeld, Julian and Lustfeld, H.},
      title        = {{E}nhanced anisotropic ionic diffusion in layered
                      electrolyte structures from density functional theory},
      journal      = {Physical review / B},
      volume       = {89},
      number       = {1},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {FZJ-2014-03194},
      pages        = {014305},
      year         = {2014},
      abstract     = {Electrolytes with high ionic diffusivity at temperatures
                      distinctively lower than the presently used ones are the
                      prerequisite for the success of, e.g., solid oxide fuel
                      cells. We have found a promising structure having an
                      asymmetric but superior ionic mobility in the direction of
                      the oxygen-ion current. Using a layering of zirconium and
                      yttrium in the fluorite structure of zirconia, a high
                      vacancy concentration and a low migration barrier in two
                      dimensions are obtained, while the mobility in the third
                      direction is basically sacrificed. According to our density
                      functional theory calculations an electrolyte made of this
                      structure could operate at a temperature reduced by
                      ≈200∘C. Thus a window to a different class of
                      electrolytes has been flung open. In our structure the price
                      paid is a more complicated manufacturing method},
      cin          = {IAS-1 / PGI-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106},
      pnm          = {424 - Exploratory materials and phenomena (POF2-424)},
      pid          = {G:(DE-HGF)POF2-424},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000332294600003},
      doi          = {10.1103/PhysRevB.89.014305},
      url          = {https://juser.fz-juelich.de/record/153698},
}