Interstitial oxygens and cation deficiency in Mo-doped ceria, an anode material for SOFCs

Abstract

Density functional theory studies show that it is energetically possible for oxygen atoms to reside on the interstitial sites in Mo-doped ceria. This is also studied experimentally using neutron diffraction experiments that show small concentration of oxygens on two intestinal sites, as well as cation deficiency in the Ce_1−xMo_xO_2+δ (x ∼ 0.07) lattice.