Fig. 4: Molecular orbital description of Co–N4/O2 interaction. | Nature Communications

Fig. 4: Molecular orbital description of Co–N4/O2 interaction.

From: Probing the active site in single-atom oxygen reduction catalysts via operando X-ray and electrochemical spectroscopy

Fig. 4

Simulated molecular orbital in accordance with the four-electron ORR process. The d7 electron crystal field orbital and a hybridization orbital, along with the oxygen electron (σ* and π*) and a schematic model of the Co–N4/C–O2 bond configuration. The potential curve is referred to ref. 4.

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