Molybdenum-modified ZnIn2S4 with a bifunctional cocatalyst for efficient photocatalytic overall water splitting under simulated sunlight

achieved POWS with an apparent quantum efficiency (AQE) of 0.17% at 420 ± 20 nm and a solar-to-hydrogen (STH) conversion efficiency of 0.016%. Theoretical calculations indicated that Mo dopants introduced spin-polarized states at both the conduction band bottom and the valence band top, which are spin-forbidden for charge recombination. This study served as a useful guideline for the design and development of efficient photocatalysts for sunlight-driven POWS.