It was shown that established atomistic simulation techniques provided a useful method for investigating aspects of the defect chemistry, of the present material, which were related to its heterogeneous catalytic properties. The results illustrated the importance of dopant substitution in promoting an increase in the mobile O defects (vacancies), and the need to understand the redox reactions at the active surface.

M.S.Islam, D.J.Ilett: Solid State Ionics, 1994, 72, 54-8