Synergistic charge transfer engineering in Mo368POM@Nb2CTx@MoS2 heterostructure for accelerated visible light-driven hydrogen evolution

The transition to sustainable energy systems urgently demands high-performance photocatalysts capable of efficient solar-driven hydrogen production to combat fossil fuel dependency. Herein, a rationally designed ternary heterostructure, Mo₃₆₈@Nb₂CT_x@MoS₂ is presented by incorporation of MoS₂, Mo₃₆₈ polyoxometalate (POM) and Nb₂CT_x MXene. This breakthrough arises from the synergistic interplay of MoS₂ as a semiconductor host for light-harvesting, Mo₃₆₈ polyoxometalate (POM) as reduction co-catalyst, and Nb₂CT_x as an electron sink, which collectively establish a cascade charge-transfer network. The integration of Nb₂CT_x accelerates electron extraction and transport due to its metallic conductivity, while Mo₃₆₈ POM functions as reduction agent, dynamically trapping photogenerated carriers and suppressing recombination losses. The composite catalyst Mo₃₆₈@Nb₂CT_x@MoS₂ achieves a hydrogen evolution rate of 1.6 mmol g⁻¹ h⁻¹ under visible-light irradiation with apparent quantum yield (AQY) of 6.4 %. By elucidating the complementary roles of MXene and POM in modulating carrier dynamics, this work establishes a unique design framework for heterostructure photocatalysts. The findings advance the frontier of solar fuel production, providing a scalable strategy to engineer multifunctional catalytic architectures, specifically engineered for high-efficiency solar-driven hydrogen evolution through rational material design.