Molecular dynamics simulations were utilized to Calculate self-diffusion coefficients in double perovskite LnBa(1- y)Sr(y)CO(2) - xFexO5 + delta (Ln = Pr, Nd, Gd) electrodes. Anisotropic oxygen diffusion was observed in the a-b plane for all the studied structures. In order to assess the role of A-site and B-site dopants such as Sr and Fe, the diffusion coefficient of oxygen ion in PrBaCo2O5.5 was estimated and compared to PrBa0.5Sr0.5Co2O5.5 and PrBaCo1.5Fe0.5O5.5. On doping with 50% Sr at A'-site, a 2.77 fold increase in diffusivity value was predicted at 873 K as compared to the undoped structure. Similar levels of increase in diffusivity values were observed with 25% Fe doping relative to PrBaCo2O5.5. On co-doping Sr and Fe, oxygen diffusion coefficient was observed to be of the highest value (1.18 x 10(-7) cm(2) s(-1)) at 873 K for PrBa0.5Sr0.5Co1.5Fe0.5O5.5. Changing the A-site lanthanide cation from Pr to Gd and Nd, led to the reduction in diffusivity value in the order of Pr3+ > Nd3+ > Gd3+. The calculated diffusivity was observed to be higher, wherever an improved electrochemical performance is reported, highlighting the important role of oxygen anion transport. (C) 2015 Elsevier B.V. All rights reserved.