Strain effects on the ionic conductivity of Y-doped ceria: A simulation study

Author(s)
Burbano, Mario; Marrocchelli, Dario; Watson, Graeme W.
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Abstract
In this paper we report a computational study of the effects of strain on the conductivity of Y-doped ceria (YDC). This material was chosen as it is of technological interest in the field of Solid Oxide Fuel Cells (SOFCs). The simulations were performed under realistic operational temperatures and strain (𝜖) levels. For bulk and thin film YDC, the results show that tensile strain leads to conductivity enhancements of up to 3.5 × and 1.44 × , respectively. The magnitude of these enhancements is in agreement with recent experimental and computational evidence. In addition, the methods presented herein allowed us to identify enhanced ionic conductivity in the surface regions of YDC slabs and its anisotropic character.
Date issued
2013-11
URI
http://hdl.handle.net/1721.1/103625
Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering; Massachusetts Institute of Technology. Department of Nuclear Science and Engineering
Journal
Journal of Electroceramics
Publisher
Springer US
Citation
Burbano, Mario, Dario Marrocchelli, and Graeme W. Watson. “Strain Effects on the Ionic Conductivity of Y-Doped Ceria: A Simulation Study.” Journal of Electroceramics 32.1 (2014): 28–36.
Version: Author's final manuscript
ISSN
1385-3449
1573-8663
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