Site-specific synergy in heterogeneous single atoms for efficient oxygen evolution.

Ma, Peiyu; Xue, Jiawei; Li, Ji; Cao, Heng; Wang, Ruyang; Zuo, Ming; Zhang, Zhirong; Bao, Jun · Nat Commun · 2025

basic_science · Level V

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Abstract

Heterogeneous single-atom systems demonstrate potential to break performance limitations of single-atom catalysts through synergy interactions. The synergy in heterogeneous single atoms strongly dependes on their anchoring sites. Herein, we reveal the site-specific synergy in heterogeneous single atoms for oxygen evolution. The Ru<sub>T</sub>Ir<sub>V</sub>/CoOOH is fabricated by anchoring Ru single atoms onto three-fold facial center cubic hollow sites and Ir single atoms onto oxygen vacancy sites on CoOOH. Moreover, Ir<sub>T</sub>Ru<sub>V</sub>/CoOOH is also prepared by switching the anchoring sites of single atoms. Electrochemical measurements demonstrate the Ru<sub>T</sub>Ir<sub>V</sub>/CoOOH exhibits enhanced OER performance compared to Ir<sub>T</sub>Ru<sub>V</sub>/CoOOH. In-situ spectroscopic and mechanistic studies indicate that Ru single atoms at three-fold facial center cubic hollow sites serve as adsorption sites for key reaction intermediates, while Ir single atoms at oxygen vacancy sites stabilize the *OOH intermediates via hydrogen bonding interactions. This work discloses the correlation between the synergy in heterogeneous single atoms and their anchoring sites.