Computational and Experimental Investigations of Defect Interaction and Ionic Conductivity in Doped Zirconia

Abstract

Yttria- and scandia-stabilized zirconia are the most promising electrolytes for solid-oxide fuel cells, but a key drawback hindering their wide application is low ionic conductivity at low operating temperatures. As ionic conductivity is closely associated with the dopants and defect interactions in an electrolyte material, the authors theoretically and experimentally investigate the influences of these structural perturbations in Y- and Sc-doped ZrO${}_{2}$. The atomistic insight obtained should help in engineering solutions to the ionic-conductivity problem at the desired operating temperatures.