Fig. 4: Electron transfer mechanism of CMCN. | Nature Communications

Fig. 4: Electron transfer mechanism of CMCN.

From: Ultrafast energy-neutral molecular oxygen activation via atomically-adjacent bimetallic catalytic sites

Fig. 4: Electron transfer mechanism of CMCN.

PDOS of (a) Co 3 d orbitals of CoCN and CMCN, (b) Mo 4 d orbitals of MoCN and CMCN. c PDOS of Co-d and Mo-d in CMCN. d Electron density difference for O2 adsorption on CoCN, CMCN, and MoCN and the corresponding charge transfer and the length of O-O bond (the brown, silver, red, blue, and purple balls represent C, N, O, Co, and Mo atoms, respectively). e, f XPS of (e) CMCN-Co and (f) CMCN-Mo with O2 in 5 min. g, h Schematic representation of the molecular oxygen activation process (the silver, dark blue, red, blue, and purple balls represent C, N, O, Co, and Mo atoms, respectively).

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