This title appears in the Scientific Report : 2014 

Enhanced anisotropic ionic diffusion in layered electrolyte structures from density functional theory
Hirschfeld, Julian (Corresponding Author)
Lustfeld, H.
Quanten-Theorie der Materialien; IAS-1
Quanten-Theorie der Materialien; PGI-1
Physical review / B, 89 (2014) 1, S. 014305
College Park, Md. APS 2014
Journal Article
Exploratory materials and phenomena
Please use the identifier: in citations.
Please use the identifier: in citations.
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