La 2-xSr xCoO 4±δ, a K 2NiF 4-type structured oxide, is currently under investigation for its possible application as a cathode material in solid oxide fuel cells operating at intermediate temperature (IT-SOFCs). Here we report a combined energy minimization and molecular dynamics study of oxygen migration mechanisms in the La 2-xSr xCoO 4±δ material for high Sr levels (x > 0.8). In the oxygen-deficient composition La 0.8Sr 1.2CoO 3.9 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 La 1.2Sr 0.8CoO 4.1 interstitial oxygen transport is via an interstitialcy mechanism and within the ab plane
Tealdi, C., Ferrara, C., Mustarelli, P., Islam, M. (2012). Vacancy and interstitial oxide ion migration in heavily doped La 2-xSr xCoO 4±δ. JOURNAL OF MATERIALS CHEMISTRY, 22(18), 8969-8975 [10.1039/c2jm30769c].
Vacancy and interstitial oxide ion migration in heavily doped La 2-xSr xCoO 4±δ
Ferrara, C;Mustarelli, P;
2012
Abstract
La 2-xSr xCoO 4±δ, a K 2NiF 4-type structured oxide, is currently under investigation for its possible application as a cathode material in solid oxide fuel cells operating at intermediate temperature (IT-SOFCs). Here we report a combined energy minimization and molecular dynamics study of oxygen migration mechanisms in the La 2-xSr xCoO 4±δ material for high Sr levels (x > 0.8). In the oxygen-deficient composition La 0.8Sr 1.2CoO 3.9 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 La 1.2Sr 0.8CoO 4.1 interstitial oxygen transport is via an interstitialcy mechanism and within the ab plane
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