Oxygen-Atom Defect Formation in Polyoxovanadate Clusters via Proton-Coupled Electron Transfer.

ABSTRACT: The uptake of hydrogen atoms (H-atoms) into reducible metal oxides has implications in catalysis and energy storage. However, outside of computational modeling, it is difficult to obtain insight into the physicochemical factors that govern H-atom uptake at the atomic level. Here, we describe oxygen-atom vacancy formation in a series of hexavanadate assemblies via proton-coupled electron transfer, presenting a novel pathway for the formation of defect sites at the surface of redox-active metal oxides. Kinetic investigations reveal that H-atom transfer to the metal oxide surface occurs through concerted proton-electron transfer, resulting in the formation of a transient V^III-OH₂ moiety that, upon displacement of the water ligand with an acetonitrile molecule, forms the

SUBMITTER: Schreiber E 

PROVIDER: S-EPMC8949770 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature