| Abstract Scope |
Low dimensional nanomaterials have attracted an increasing attention for their unique properties which cannot be obtained from the corresponding bulk forms, such as super-high chemically reactive surfaces, rapid “in-plane” charge transport, significant quantum-confinement effect, etc. In this presentation, low dimensional nanomaterials and their hybrids supported on 2D nanosheet has been studied by DFT-based theoretical calculations, with the aim of understanding the nature and mechanisms of their interfacial electronic coupling, charge transfer, and resultant optical response and catalytic activity in hydrogen evolution reactions (HER), oxygen evolution reactions (OER), and dissociative adsorption reaction of small molecules. Low dimensional nanomaterials and their hybrids, which promote interfacial coupling and efficient charge separation arise from the effects of adsorbent nature, quantum size engineering, and defect assistance, are therefore boost their promising applications in photovoltaics and photocatalysis. |