Integrating adsorption with advanced oxidation processes offers significant advantages over conventional single-stage wastewater treatment methodologies. Herein, this study successfully synthesized nitrogen-boron codoped metal-free biochar at 700 °C (700NBBC). 700NBBC effectively eliminates sulfamethoxazole (SMX) from water through a synergistic adsorption-oxidation process, showcasing robust resistance to interference and broad pH tolerance. Characterizations and experimental outcomes indicate that 700NBBC primarily adsorbs SMX through a monolayer surface chemical adsorption mechanism and activates persulfate (PMS) to oxidize SMX via a non-radical mechanism, which includes the generation of singlet oxygen (1O2) and electron transfer processes. Density functional theory calculations elucidate that N and B doping regulate the local electronic environment at biochar surface, enhancing the adsorption energy between biochar and PMS while effectively catalyzing PMS cleavage to generate 1O2. This research offers fresh perspectives on the critical role of heteroatom doping in regulating reactive oxygen species generation within biochar.
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