Fig. 5
Theoretical simulations of the catalytic origins. a Adsorption energies for the azoxybenzene on Co (111) facet, Co1–C4/G and Co1/G SACs. b The partial density of state (PDOS) projected on the Co 4 s and 3d orbitals of Co1-C4/G and Co1/G. The balls in gray, red, and blue represent carbon, oxygen, and cobalt, respectively
