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

Abstract

In this paper we report a computational study of the e ects of strain on the conductivity of Y-doped ceria (YDC). This material was chosen as it is of technological interest in the eld of Solid Oxide Fuel Cells (SOFCs). The simulations were performed under realistic operational temperatures and strain ( ) levels. For bulk and thin lm 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