JECR SPECIAL ISSUE ON ELECTRO-CHEMO-MECHANICS

Journal of Electroceramics

, Volume 32, Issue 1, pp 28-36

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

  • Mario BurbanoAffiliated withSchool of Chemistry and CRANN, Trinity College Dublin
  • , Dario MarrocchelliAffiliated withSchool of Chemistry and CRANN, Trinity College DublinDepartment of Materials Science and Engineering, Massachusetts Institute of TechnologyDepartment of Nuclear Science and Engineering, Massachusetts Institute of Technology
  • , Graeme W. WatsonAffiliated withSchool of Chemistry and CRANN, Trinity College Dublin Email author 

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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 (đťś–) levels. For bulk and thin film YDC, the results show that tensile strain leads to conductivity enhancements of up to 3.5 Ă— and 1.44 Ă— , 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