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,Jun Bao

Nature communications（2025）

University of Science and Technology of China

Cited 0|Views3

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.

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【要点】：论文研究了异质单原子催化剂中特定位置上的协同效应，揭示了不同锚点对氧析出反应性能的影响，并提高了反应效率。

【方法】：通过将Ru单原子锚定在CoOOH的三重面心立方空腔位点，将Ir单原子锚定在氧空位上，制备了RuTIrV/CoOOH催化剂，并对比了将单原子锚点互换后的IrTRuV/CoOOH催化剂。

【实验】：使用电化学测量以及原位光谱学方法，研究了RuTIrV/CoOOH和IrTRuV/CoOOH的氧析出反应（OER）性能，发现RuTIrV/CoOOH展现出更优的OER性能，原位光谱和机理研究表明，Ru单原子作为关键反应中间体的吸附位点，而Ir单原子通过氢键作用稳定了*OOH中间体。

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