Fig. 5: Calculated reaction activation energies and proposed OER mechanisms. | Nature Communications

Fig. 5: Calculated reaction activation energies and proposed OER mechanisms.

From: {Co4O4} Cubanes in a conducting polymer matrix as bio-inspired molecular oxygen evolution catalysts

Fig. 5

a Calculated energy profiles of SS (green), DS (orange), and Sy (black) pathways was modeled using the Perdew-Burke-Ernzerhof functional within the framework of the generalized gradient approximation. Relative electronic energies are given in eV. b Proposed OER mechanisms according to the calculated Sy pathway.

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