Fig. 3: Mechanism investigations of O2 activation.

a The local adsorption configurations of O2. The silver, dark blue, red, blue, and purple balls represent C, N, O, Co, and Mo atoms, respectively. b The Eads of O2 on CoCN, CMCN, and MoCN. c O2-TPD of CN and CMCN. d In situ Raman spectra of CMCN catalyst in O2-saturated aqueous solution.