Accelerated Photogenerated Charge Separation Driven Synergistically by the Interfacial Electric Field and Work Function in Z‐Scheme Zn‐Ni2P/G‐C3N4 for Efficient Photocatalytic Hydrogen Evolution

The design of green and low-cost Z-scheme heterojunctions with the interfacial electric field (IEF) is of prime importance to their photocatalytic hydrogenation performance and practical application. In this work, we construct a novel Z-scheme heterojunction photocatalyst comprised of Zn-Ni2P/g-C3N4 nanosheets for hydrogen evolution reaction (HER). Experimental results and density functional theory calculations demonstrate that the construction of Z-scheme Zn-Ni2P/g-C3N4 heterostructure not only promotes the generation of IEF directing from Zn-Ni2P to g-C3N4, along with work function, accelerating the photogenerated charge separation in Zn-Ni2P/g-C3N4, but also leads to the upshift of the p-band state density in Zn-Ni2P/g-C3N4, favorable for the H* adsorption toward HER. The Zn-Ni2P/g-C3N4 photocatalyst demonstrated excellent photocatalytic HER activity, with a hydrogen production rate of up to 1077 µmol g-1 h-1 and a stability of 49 h. Our findings provide a new method to enhance the separation of photogenerated charges. This improvement boosts the photocatalytic properties of solar-driven materials and devices.