Highly active Cs₂SnCl₆/C₃N₄ heterojunction photocatalysts operating via interfacial charge transfer mechanism

In this study, a novel lead-free perovskite heterojunction Cs₂SnCl₆/C₃N₄ composite was constructed and applied for photocatalytic NO purification. After design optimization, the Cs₂SnCl₆/C₃N₄ heterojunction exhibit excellent and stable photocatalytic NO purification ability under visible-light irradiation, which is significantly better than pristine Cs₂SnCl₆ and C₃N₄. Combined in-situ DRIFTS and electron spin resonance spin-trapping, the mechanism of Cs₂SnCl₆/C₃N₄ photocatalytic NO removal was revealed. Under visible-light irradiation, the photo-generated electrons on the conduction band of C₃N₄ would spontaneously migrate to the CB of Cs₂SnCl₆, leaving holes (h⁺) on the valence band of C₃N₄, contributing to efficiently segregated charge carriers and improved photocatalytic NO purification. Density functional theory calculations also revealed the directional electron transfer at the C₃N₄ and Cs₂SnCl₆ interface, in which the charge was migrated from C₃N₄ to Cs₂SnCl₆ induced by the internal electric field. This research sheds fresh light on the fabrication of Cs₂SnCl₆/C₃N₄ heterojunctions as well as its effective interfacial charge separation.