Photocatalytic “smart filters”: MoS2-based heterostructures with molecular memory for selective degradation of sulfonylurea pesticides in an agricultural drainage environment

Photocatalytic system designed based on molecular imprinting technology (MIT) is a strategic solution for pesticide remediation in agricultural drainage. The heterojunction architecture constructed from MoS₂/MIL-101(Fe) nanoparticles was functionally enhanced through MIT to create molecular-recognition cavities (MFM), enabling selective chlorsulfuron degradation in complex aqueous matrices. The MFM system exhibited a superior pseudo-first-order rate constant (0.0158 min −1 ), representing a 102.60-fold enhancement over pristine MoS₂-based systems. Remarkably, it maintained an exceptional selectivity factor (3.01) in tetracycline-coexisting environments. Mechanistic studies revealed that MIT-mediated targeted adsorption reduces the mass transfer distance between reactive oxygen species and chlorsulfuron, amplifying photocatalytic efficiency. Density functional theory calculations delineated the complete electron transfer trajectory from heterointerfaces to adsorption sites, identifying Mo S sites as dominant charge transfer mediators. Practical applicability was validated via continuous-flow prototypes processing actual water samples and structural analogs. Ecotoxicological assessments using soil microorganisms, Portulaca oleracea seedlings, and human bronchial/intestinal epithelial cells confirmed biosafety thresholds. This work provides a conceptual framework for the engineering design of molecular-memory photocatalysts and superficial insights for advancing practical environmental remediation technologies.