Cyclodextrin‐supported Co(OH)2 Clusters as Electrocatalysts for Efficient and Selective H2O2 Synthesis

Abstract Co‐based material catalysts have shown attractive application prospects in the 2 e − oxygen reduction reaction (ORR). However, for the industrial synthesis of H 2 O 2 , there is still lack of Co‐based catalysts with high production yield rate. Here, novel cyclodextrin‐supported Co(OH) 2 cluster catalysts were prepared via a mild and facile method. The catalyst exhibited remarkable H 2 O 2 selectivity (94.2 % ~ 98.2 %), good stability (99 % activity retention after 35 h), and ultra‐high H 2 O 2 production yield rate (5.58 mol g catalyst −1 h −1 in the H‐type electrolytic cell), demonstrating its promising industrial application potential. Density functional theory (DFT) reveals that the cyclodextrin‐mediated Co(OH) 2 electronic structure optimizes the adsorption of OOH* intermediates and significantly enhances the activation energy barrier for dissociation, leading to the high reactivity and selectivity for the 2 e − ORR. This work offers a valuable and practical strategy to design Co‐based electrocatalysts for H 2 O 2 production.