Vacancy and interstitial oxide ion migration in heavily doped La 2-xSr xCoO 4±δ

Reference:

Tealdi, C., Ferrara, C., Mustarelli, P. and Islam, M. S., 2012. Vacancy and interstitial oxide ion migration in heavily doped La 2-xSr xCoO 4±δ. Journal of Materials Chemistry, 22 (18), pp. 8969-8975.

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Official URL:

http://dx.doi.org/10.1039/c2jm30769c

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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