Si-induced electron reconstruction on Fe-based catalyst drives rapid ozone activation for efficient water...

This study tackles the challenge of slow electron transfer in advanced oxidation processes (AOPs) by developing a self-supporting Si-Fe/C catalyst through Si doping. The incorporation of Si generates electron-deficient Fe^3 + Lewis acid sites, strengthening O₃ adsorption (-3.514 eV), facilitating O-O bond cleavage (1.28 Å→1.557 Å), and reducing the activation energy barrier for the formation of the key intermediate *O (1.85 eV→1.59 eV), thereby accelerating the generation of reactive oxygen species. The Si-Fe/C catalyst demonstrates exceptional performance in degrading atrazine (ATZ), with a rate constant of 0.517 min^-1, 103.40 times that of ozonation alone and 1.98 times that of the undoped Fe/C. It also outperforms other AOPs by 2.31-32.3 times. Applied to Karamay Petrochemical wastewater, the Si-Fe/C + O₃ system achieved 78.36% COD removal, highlighting its practical potential. This work offers a new strategy at the "electronic level" for designing efficient ozone catalysts.