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Theoretical calculations and experiments have shown that by exploiting the dual effects of the N-axial coordination Ru-N 5 and the dual active sites of Ru atoms/clusters, combined with the strong electronic interactions established by the nitrogen-rich coordination of Ru with g-CN, not only modulates the d-band centre of Ru and initiates the electronic localisation and improves the synergistic effect between the active sites, but also enhances the overlapping of the metal d-orbitals with the p-orbitals of oxygen-containing intermediates, which improves the stabilisation of Ru atoms and the adsorption and rapid activation of oxygen-containing intermediates, reducing the reaction activation energy and thus increasing the reaction efficiency

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