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

Peiyu Ma, Jiawei Xue, Ji Li, Heng Cao, Ruyang Wang, Ming Zuo, Zhirong Zhang () and Jun Bao ()
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Peiyu Ma: University of Science and Technology of China
Jiawei Xue: University of Science and Technology of China
Ji Li: University of Science and Technology of China
Heng Cao: University of Science and Technology of China
Ruyang Wang: University of Science and Technology of China
Ming Zuo: University of Science and Technology of China
Zhirong Zhang: University of Science and Technology of China
Jun Bao: University of Science and Technology of China

Nature Communications, 2025, vol. 16, issue 1, 1-14

Abstract: 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 RuTIrV/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, IrTRuV/CoOOH is also prepared by switching the anchoring sites of single atoms. Electrochemical measurements demonstrate the RuTIrV/CoOOH exhibits enhanced OER performance compared to IrTRuV/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.

Date: 2025
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DOI: 10.1038/s41467-025-57864-w

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