Harnessing Electronically Core-Shell CoFe Alloy-Carbon from Prussian Blue Analogues for Efficient Pollutant Abatement via Peracetic Acid Activation: Dual Reactive Species Generation and Synergistic Mechanisms

Herein, an electron-optimized core-shell CoFe alloy-carbon composite (CoFeC) was developed from prepared CoFe Prussian blue analogues (CoFe PBAs) through pyrolysis and applied for peracetic acid (PAA) activation. Characterization analysis and theoretical calculations indicated that the Co sites as the primary active centers, with the presence of C and Fe in CoFeC significantly narrowed the difference between the d-band center ( Ɛ d ) and the Fermi level ( E F ), thereby reducing PAA adsorption energy on Co sites and enhancing electron transfer. The identification of reactive species confirmed that acetylperoxy radicals (CH 3 C(O)OO·) and singlet oxygen ( 1 O 2 ) were the dominant species driving the reaction. The CoFeC/PAA system demonstrated exceptional pollutant degradation efficiency, achieving nearly 100% removal within 30   min, along with strong interference resistance and high durability in continuous-flow reactors. This work provided novel insights into the activation of PAA by bimetallic carbon catalysts and offered guidance for the development of efficient and sustainable water treatment technologies.