Mapping Catalytically Relevant Edge Electronic States of MoS₂.

ABSTRACT: Molybdenum disulfide (MoS₂) is a semiconducting transition metal dichalcogenide that is known to be a catalyst for both the hydrogen evolution reaction (HER) as well as for hydro-desulfurization (HDS) of sulfur-rich hydrocarbon fuels. Specifically, the edges of MoS₂ nanostructures are known to be far more catalytically active as compared to unmodified basal planes. However, in the absence of the precise details of the geometric and electronic structure of the active catalytic sites, a rational means of modulating edge reactivity remain to be developed. Here we demonstrate using first-principles calculations, X-ray absorption spectroscopy, as well as scanning transmission X-ray microscopy (STXM) imaging that edge corrugations yield distinctive spectroscopic signatures

SUBMITTER: Parija A 

PROVIDER: S-EPMC5920619 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature