A jump-diffusion model was introduced to describe proton diffusion in cubic perovskites. It was solved using both an analytical matrix approach and kinetic Monte Carlo simulations. The model was applied to In-doped BaZrO3 and first-principles calculations were used to determine binding energies and diffusion barriers. It was found that dopants acted as traps and reduced the diffusion coefficient by about an order of magnitude at 600K.

A Kinetic Monte Carlo Study of Proton Diffusion in Disordered Perovskite Structured Lattices Based on First-Principles Calculations. M.E.Björketun, P.G.Sundell, G.Wahnström, D.Engberg: Solid State Ionics, 2005, 176[39-40], 3035-40