Anchoring nickel complex to g-C3N4 enables an efficient photocatalytic hydrogen evolution reaction through ligand-to-metal charge transfer mechanism

The development of stable and efficient non-noble metal-based photocatalysts for water splitting is currently a key but challenging process for effective conversion and storage of sustainable energy. Here, we designed a new non-noble metal composite photocatalyst by covalently connecting nickel molecular ligand (NiL) to the graphitized carbon nitride (CN) framework for photocatalytic hydrogen evolution under visible light irradiation. Compared to CN , NiL-modified CN (NiL/CN) shows excellent photogenerated carrier migration rate. Without Pt as a co-catalyst, NiL/CN exhibits high photocatalytic activity (23.4 μmol h −1 ) with high stability. Experiments and theoretical calculations disclose that ligand–metal charge transfer (LMCT) mechanism plays a key role on the enhancement of photocatalytic activity. This work provides a promising method for future designing low-cost, high-performance photocatalysts for hydrogen production under solar light.