Fig. 3: DFT-calculated potential energy diagram for the reaction toward CO on Ce3O7/CeO2(111) and Ce3O3/Ce2O3(0001).
From: Dynamic control and quantification of active sites on ceria for CO activation and hydrogenation
a Reaction diagram together with the optimized geometries of reaction intermediates: (b) *CO and (c) *CO3 on Ce3O7/CeO2(111), (d) *CO, (e) *CO3, (f) *C + *O and (g) *C on Ce3O3/Ce2O3(0001).
