Breaking scaling relationship limitations in peroxymonosulfate activation through electronegativity-driven Fe–Mn dual-metal synergy

plays a key role in the Fe-Mn DAC/PMS system for BPA degradation. Based on density functional theory calculations, Fe and Mn active sites with a large electronegativity difference effectively enhance the synergistic interactions and decouple the activation and stabilization of reaction intermediates to address the inherent scaling relationship limitation. This study provides a robust framework for the rational design of DACs to enable efficient and sustainable water treatment.