Recent investigations have revealed that the RuddlesdenPopper series (A n+1B nO 3n+1) and the layered perovskite LnBaCo 2O 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 2CoO 4+δ and GdBaCo 2O 5+δ and the results are discussed in view of recent experimental and theoretical studies. © 2012 World Scientific Publishing Company.
Bibliographical noteCited By :3
Export Date: 10 July 2018
Correspondence Address: Chroneos, A.; Department of Materials, Imperial College London, London SW7 2AZ, United Kingdom; email: email@example.com
- LnBa 1-xSr xCo 2O 5+δ
- molecular dynamics
- oxygen migration