Fig. 2: Optimized structural models and calculated migration energies of Ir1/Cu0.3Co2.7O4 with different Ir-Ir distances.
From: Distance effect of single atoms on stability of cobalt oxide catalysts for acidic oxygen evolution
Optimized structural models of Ir1/Cu0.3Co2.7O4 with different Ir-Ir distances. Ir1/Cu0.3Co2.7O4 with d = 1.14 nm (a), d = 0.87 nm (b), and d = 0.56 nm (c). Red, blue, brown, and green spheres represent O, Co, Cu, and Ir atoms, respectively. d Calculated migration energies of Co atoms on Ir1/Cu0.3Co2.7O4 with different Ir-Ir distances. The inset structures represent the initial state (IS), transition state (TS), and final state (FS), respectively. Pink spheres represent migrated Co atoms. e Schematic illustration of the distance effect of Ir single atoms on the stability of cobalt oxide catalysts. Blue and green spheres represent Co atoms and Ir single atoms.
