Oxygen migration energy in La and Y Co-doped CeO2: Effect of lattice constant and grain boundary segregation

Abstract

The transfer energy of oxygen vacancy of La and Y co-doped CeO2 is investigated in which the total amount of La and Y is fixed at 20 at%. Although both the La3+ (1.16 Å) and Y3+ (1.032 Å) ions are larger than the Ce4+ ions (0.97 Å), individual single doping of La and Y results in an increase and a decrease in the CeO2 lattice constant, respectively, due to the effect of the critical ionic radius (rc). As the La/Y ratio varies, the lattice constant increases as the La content increases, which leads to a decrease in the migration energy of the oxygen vacancy in the grain interior. When La and Y are co-doped at a ratio of 2:18, its lattice constant is almost the same as that of pure CeO2 in which the dissociation energy of the oxygen vacancy achieves the lowest value due to the minimum lattice-strain energy. The migration energy at the grain boundary also decreases with increasing La content. This result is explained by the degree of grain boundary segregation of the dopant.

Keywords

• Oxygen migration
• CeO2
• Doping
• Lattice constant
• Oxygen vacancy