Recent investigations have revealed that the Ruddlesden–Popper series ( A n+1 B n O 3n+1) and the layered perovskite Ln BaCo 2 O 5+δ (Ln = rare-earth cations) are promising as cathodes for intermediate temperature solid oxide fuel cells. For these to be economical the oxygen diffusion must be maximized. Based on atomistic simulations, we propose strategies for optimizing oxygen diffusion in these materials by modifying the oxygen stoichiometry, the composition and cation disorder. The present investigation is focused on La 2 CoO 4+δ and GdBaCo 2 O 5+δ and the results are discussed in view of recent experimental and theoretical studies.
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Chroneos et al. (2012) studied this question.
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