Synchronous Electronic and Structural Modulation of Interlayer Nanoconfined Cu Single‐Atom/MXene Nanochannels for High‐Efficiency Micropollutant Removal

Abstract Single‐atom catalysts (SACs) offer high catalytic reactivity for micropollutant removal but often suffer from limited oxidant utilization and slow mass transport. Here, we confines Cu single atoms within the interlayer nanochannels of MXene to achieve structural and electronic modulation of the catalytic system. The resultant Cu‐SACs/MXene nanochannel achieved 94.9% bisphenol A removal within 5 min, with a 3.2‐fold faster rate than conventional systems. Structurally, the interlayer nanochannels enriched reactants and shortened their diffusion paths, as revealed by molecular dynamic simulations. Electronically, atomically dispersed Cu induced local electron delocalization, while interlayer confinement further promoted interfacial charge transfer. This enhanced peroxymonosulfate utilization via stronger adsorption and a lower energy barrier for generating reactive oxygen species, as confirmed by theoretical calculation. This study establishes a mechanistic framework for interlayer confinement‐enhanced SACs and provides a scalable platform for addressing emerging micropollutants, contributing to the advancement of clean water access under the Sustainable Development Goals.