First-principles calculations of 0D/2D GQDs–MoS<sub>2</sub> mixed van der Waals heterojunctions for photocatalysis: a transition from type I to type II
Li-Long Luo, Pingxia Wang, Xiangyan Geng, Ying-Tao Liu, R. I. Eglitis, Hongqiang Xia, Xiaoyong Lai, Xin Wang
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.
Topics & Concepts
HeterojunctionPhotocatalysisDensity functional theoryvan der Waals forceMaterials scienceQuantum dotGrapheneSemiconductorWater splittingAbsorption (acoustics)Photocatalytic water splittingNanotechnologyOptoelectronicsChemistryComputational chemistryMoleculeCatalysisOrganic chemistryComposite materialBiochemistry2D Materials and ApplicationsAdvanced Photocatalysis TechniquesGraphene research and applications