First-principles calculations of 0D/2D GQDs–MoS₂ mixed van der Waals heterojunctions for photocatalysis: a transition from type I to type II

Abstract

with enhanced visible-light absorption and an appropriate band edge position, as a type II heterostructure, may be a promising photocatalyst for generating hydrogen from water splitting. Thus, in this work a novel type II 0D/2D nanocomposite as a photocatalyst is constructed that provides a strategy to regulate the type of heterostructure from the perspective of theoretical calculation.