In this issue of Chem Catalysis, Peng et al. utilized a computational-aided strategy to synthesize oxygen-enriched Ni-NOC single-atom catalysts with the coordination geometry of Ni-N₄O₁, featuring the excellent performance of hydrogen peroxide (H₂O₂) formation coupled with 5-hydroxymethylfurfural oxidation. This research advances the development of rationally designed high-performance electrocatalysts for H₂O₂ generation.

中文翻译：

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用于配对电合成的单原子镍催化剂的计算辅助合成

在本期《化学催化》中，Peng 等人。利用计算辅助策略合成具有Ni-N ₄ O ₁配位几何结构的富氧Ni-NOC单原子催化剂，具有过氧化氢（H ₂ O ₂ ）形成与5-羟甲基糠醛氧化耦合的优异性能。这项研究推动了合理设计的高性能 H2O2 电催化剂的开发。