Tuning electronic structure of metal-free dual-site catalyst enables exclusive singlet oxygen production and in-situ utilization.

ABSTRACT: Developing eco-friendly catalysts for effective water purification with minimal oxidant use is imperative. Herein, we present a metal-free and nitrogen/fluorine dual-site catalyst, enhancing the selectivity and utilization of singlet oxygen (¹O₂) for water decontamination. Advanced theoretical simulations reveal that synergistic fluorine-nitrogen interactions modulate electron distribution and polarization, creating asymmetric surface electron configurations and electron-deficient nitrogen vacancies. These properties trigger the selective generation of ¹O₂ from peroxymonosulfate (PMS) and improve the utilization of neighboring reactive oxygen species, facilitated by contaminant enrichment at the fluorine-carbon Lewis-acid adsorption sites. Utiliz

SUBMITTER: Gu CH 

PROVIDER: S-EPMC11535063 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature