Rationally engineered avtive sites for efficient and durable hydrogen production over γ-graphyne assembly CuMoO4 S-scheme heterojunction

Abstract

The introduction of novel materials is crucial to broaden the development of the field of artificial photosynthesis. The high recombination rate of photogenerated carriers remains one of the fundamental reasons that hinder the development of photocatalysis. In view of this, we coupled γ-GY containing alkyne bonds with CuMoO4 to form interfacial S-scheme heterojunctions. The formation of S-scheme heterojunctions accelerates the electron transfer and improves the separation efficiency of photogenerated carriers, while enhancing the photoreduction ability of the composite catalysts and allowing more electrons to participate in the reduction reaction of H+ under light conditions. The heterojunction type between γ-GY and CuMoO4 was determined as S-scheme heterojunction as well as the electron migration path between the catalysts base on in situ radiation XPS spectroscopy and Density Functional Theory (DFT) as the theoretical guidance. This work provides a basis for the structural optimization of γ-GY based on in situ and theoretical calculations, and expands the application of mechanical preparation of γ-GY in photocatalysis.