▎ 摘　　要

NOVELTY - Stimulating water decomposition performance of graphene loaded semiconductor CdS composite material comprises e.g. optimizing the structure of graphene-loaded semiconductor CdS composite material; simulating the reaction process of water to produce hydrogen on the surface of graphene-loaded semiconductor CdS composite material; and using the density functional theory and the molecular dynamics simulation method of the first principle to obtain the relationship between the structure of the defective graphene-supported semiconductor catalyst CdS composite material. USE - The method is useful for stimulating water decomposition performance of graphene loaded semiconductor CdS composite material (claimed). DETAILED DESCRIPTION - Stimulating water decomposition performance of graphene loaded semiconductor CdS composite material comprises (i) optimizing the structure of graphene-loaded semiconductor CdS composite material; (ii) simulating the reaction process of water to produce hydrogen on the surface of graphene-loaded semiconductor CdS composite material; and (iii) using the density functional theory and the molecular dynamics simulation method of the first principle to obtain the relationship between the structure of the defective graphene-supported semiconductor catalyst CdS composite material and the hydrogen production performance.