The Buffering Activity of Ceria toward Reactive Oxygen Species: A Density Functional Theory Perspective.

The same behavior is generally seen on the oxygen deficient surfaces for M2 (apart from x s (Ce 3+ ) = 1, Figure l, where H 2 O 2 desorption follows {111} then {100} and {110} with {111} the most favorable), although M1 does not show a clear trend but still has the {111} surface displaying the lowest energy.

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