Journal Article

FZJ-2014-03194

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Enhanced anisotropic ionic diffusion in layered electrolyte structures from density functional theory

Hirschfeld, J. (Corresponding Author)FZJ* ; Lustfeld, H.FZJ*

2014
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/6748  doi:10.1103/PhysRevB.89.014305

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

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)

Research Program(s):

1. 424 - Exploratory materials and phenomena (POF2-424) (POF2-424)

Appears in the scientific report 2014

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Database coverage:
; ; ; Current Contents - Social and Behavioral Sciences ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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