Journal of Electroceramics

, Volume 32, Issue 1, pp 28–36

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

Authors

  • Mario Burbano
    • School of Chemistry and CRANNTrinity College Dublin
  • Dario Marrocchelli
    • School of Chemistry and CRANNTrinity College Dublin
    • Department of Materials Science and EngineeringMassachusetts Institute of Technology
    • Department of Nuclear Science and EngineeringMassachusetts Institute of Technology
    • School of Chemistry and CRANNTrinity College Dublin
JECR SPECIAL ISSUE ON ELECTRO-CHEMO-MECHANICS

DOI: 10.1007/s10832-013-9868-y

Cite this article as:
Burbano, M., Marrocchelli, D. & Watson, G.W. J Electroceram (2014) 32: 28. doi:10.1007/s10832-013-9868-y

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.

Keywords

SOFC Ceria Strain MD

Copyright information

© Springer Science+Business Media New York 2013