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Issue 42, 2016
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Lattice strain effects on doping, hydration and proton transport in scheelite-type electrolytes for solid oxide fuel cells

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Abstract

Lattice strain is considered a promising approach to modulate the structural and functional properties of oxide materials. In this study we investigate the effect of lattice strain on doping, hydration and proton transport for the family of scheelite-type proton conductors using both atomistic and DFT computational methods. The results suggest that tensile strain improves the dopant solubility and proton uptake of the material. The anisotropic proton pathways change from being within the ab plane to being in the ac plane. However, the predicted reduction in the migration barrier suggests that improvements in ionic conductivity due to lattice strain effects will be limited, in contrast with the work on oxide ion conduction. Such results are rationalized in terms of structural changes and differences in migration steps between oxide ions and protonic species.

Graphical abstract: Lattice strain effects on doping, hydration and proton transport in scheelite-type electrolytes for solid oxide fuel cells

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Supplementary files

Article information


Submitted
16 Sep 2016
Accepted
29 Sep 2016
First published
13 Oct 2016

Phys. Chem. Chem. Phys., 2016,18, 29330-29336
Article type
Paper

Lattice strain effects on doping, hydration and proton transport in scheelite-type electrolytes for solid oxide fuel cells

C. Ferrara, C. Eames, M. S. Islam and C. Tealdi, Phys. Chem. Chem. Phys., 2016, 18, 29330
DOI: 10.1039/C6CP06395K

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