Defect clustering and local ordering in rare earth co-doped ceria

Abstract

Defect clustering and local ordering in rare earth co-doped ceria were studied by computer simulation and electron diffraction, respectively. The simulation of electrically neutral defect clusters containing up to four oxygen vacancies revealed that the permutation of different dopant cations in a co-doped cluster could have a significant influence on the binding energy of the cluster. Moreover, the growth of larger clusters (number of oxygen vacancies ≥ 3) could be restrained by a co-doping effect. The selected area electron diffraction study indicated that the restrained growth of larger clusters will further lead to a suppression of the local ordering of oxygen vacancies in co-doped ceria. The correlation between defect clustering, local ordering of oxygen vacancies and ionic conduction in co-doped ceria was discussed.