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000153698 1001_ $$0P:(DE-Juel1)130713$$aHirschfeld, Julian$$b0$$eCorresponding Author$$ufzj
000153698 245__ $$aEnhanced anisotropic ionic diffusion in layered electrolyte structures from density functional theory
000153698 260__ $$aCollege Park, Md.$$bAPS$$c2014
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000153698 520__ $$aElectrolytes 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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000153698 7001_ $$0P:(DE-Juel1)130810$$aLustfeld, H.$$b1$$ufzj
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000153698 773__ $$0PERI:(DE-600)2844160-6$$a10.1103/PhysRevB.89.014305$$gVol. 89, no. 1, p. 014305$$n1$$p014305$$tPhysical review / B$$v89$$x1098-0121$$y2014
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000153698 9132_ $$0G:(DE-HGF)POF3-142$$1G:(DE-HGF)POF3-140$$2G:(DE-HGF)POF3-100$$aDE-HGF$$bForschungsbereich Energie$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vControlling Spin-Based Phenomena$$x0
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