Promoting directional charge migration and boosting the active sites over S-scheme heterojunction consisting of protonated D-A typed polymer and MoS2 for photocatalytic H2 production

The optimal PPMS-0.5% heterojunction exhibits a remarkable efficiency of 75.4 mmol g1 h1 in generating H2 when subjected to visible light illumination, representing an approximately 4.6 times enhancement compared to pure PyDTDO-3.

To elucidate the photocatalytic mechanism, a range of characterization methods were utilized and calculations using density functional theory (DFT) were carried out. The disparity in the work function between PyDTDO-3 and MoS2 results in the creation of a Fermi-level gap. Consequently, the establishment of a built-in electric field facilitates the occurrence of the electrons in MoS2 spontaneously transferring to PyDTDO-3.