Structural insights into mononuclear Cu1 motifs for efficient CO electroreduction

Abstract

This study identified a fundamental structure-stability–activity triad correlation for CO electrocatalysis at site-specific mononuclear Cu₁–C₂N motifs. The privileged σ-π bonding synergy coupled with spatial confinement simultaneously optimizes reactivity-stability trade-offs from both electronic and geometric aspects, contrasting the conventional metal–Nx structures.