Metallic 1T-MoS2/ZnIn2S4 heterojunction photocatalysts for enhanced photoredox reaction via guiding charge migration

The synergistic coupling of photocatalytic hydrogen evolution and alpha-C-H bond activation reactions enables the comprehensive harnessing of the redox potential of semiconductor catalysts, yielding exceptionally high utilization of photocatalytic technology. Guiding and optimizing the charge migration within photocatalysts constitute a pivotal strategy for achieving remarkable overall solar energy conversion efficiency. Here, we engineer metallic 1T-MoS2/ZnIn2S4 heterojunction photocatalysts by incorporating the distinctive 1T-MoS2 structure into the intricate flower-like ZnIn2S4 framework. The modulation of charge migration within the 1T-MoS2/ZnIn2S4 heterojunction photocatalysts is induced by an engineered interfacial electric field and an efficient hole transfer agent (benzyl alcohol). Steering charge migration results in an impressive 4.6-fold enhancement in photocatalytic performance compared with the pristine ZnIn2S4. Moreover, comprehensive spectroscopy and theoretical analyses prove that the interfacial electric field facilitates the rapid electron transfer along the direction from the [S-Mo] to [In-S] layers. Simultaneously, swift hole capture is achieved by dehydrogenating the alpha-C-H bond in benzyl alcohol.