La2−xSrxCoO4±δ, a K2NiF4-type structured oxide, was currently under investigation for its possible application as a cathode material in solid oxide fuel cells operating at intermediate temperature. Here, a combined energy minimization and molecular dynamics study was made of oxygen migration mechanisms in La2−xSrxCoO4±δ for high Sr levels (x > 0.8). In the oxygen-deficient composition La0.8Sr1.2CoO3.9, the oxide-ion transport mainly occurs through the migration of oxygen vacancies within the perovskite layer of the structure, with possible vacancy paths between adjacent layers. In the oxygen-rich composition La1.2Sr0.8CoO4.1 interstitial oxygen transport was via an interstitialcy mechanism and within the ab plane.

Vacancy and Interstitial Oxide Ion Migration in Heavily Doped La2-xSrxCoO4±δ. C.Tealdi, C.Ferrara, P.Mustarelli, M.S.Islam: Journal of Materials Chemistry, 2012, 22[18], 8969-75