Fig. 4: Cation and oxygen vacancy distributions at the (111) CeO2/Y2O3 interface. | Nature Communications

Fig. 4: Cation and oxygen vacancy distributions at the (111) CeO2/Y2O3 interface.

From: Colossal oxygen vacancy formation at a fluorite-bixbyite interface

Fig. 4

Distribution profiles of oxygen vacancy (top) and Ce3+, Ce4+ (bottom) equilibrated at 700 °C in CeO2 and Y2O3 calculated by hybrid Monte Carlo (MC) and molecular dynamics (MD) simulations. The interfaces enrich Ce3+ and oxygen vacancies simultaneously within CeO2. The concentration of oxygen vacancies can reach up to 10% at the interface, spanning over ~1 nm.

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