Supramolecularly engineered S-scheme SubPc-Br/MoS2 photocatalyst nanosheets for enhanced photocatalytic degradation of antibiotics

Developing a simple, low-cost, high-yield, and controllable strategy for preparing various functionalized MoS 2 -based composite materials remains a challenge. This study innovatively utilizes boron subphthalocyanine bromide (SubPc-Br) as a photosensitizer, which self-assembles on MoS 2 via intermolecular π-π stacking, creating a SubPc-Br/MoS 2 organic–inorganic semiconductor system. This addresses a research gap, employing subphthalocyanines as MoS 2 sensitizers. The SubPc-Br/MoS 2 heterojunction exhibited excellent photocatalytic activity for the degradation of antibiotics in water under solar irradiation. The rate constants for the photocatalytic degradation of CTC and CIP by SubPc-Br/MoS 2 were 4.66 and 5.93 times higher than those of pristine MoS 2 , respectively. The significant improvement in photocatalytic performance is attributed to the efficient charge separation and transfer induced by the unique S-Scheme charge transfer mechanism, which has been verified by different theoretical and experimental results. We demonstrate that the photochemical activity of O 2 molecules adsorbed on MoS 2 (1   0   0) is site-sensitive, with O 2 preferentially adsorbing on the Mid-site location with higher electron transport capability. This study provides a new perspective for enhancing photocatalytic performance by constructing an artificial photosynthetic system with an S-scheme heterojunction.