Modelling local structural and electronic consequences of proton and hydrogen-atom uptake in VO₂ with polyoxovanadate clusters.

ABSTRACT: We report the synthesis and characterisation of a series of siloxide-functionalised polyoxovanadate-alkoxide (POV-alkoxide) clusters, [V₆O₆(OSiMe₃)(OMe)₁₂] ⁿ (n = 1-, 2-), that serve as molecular models for proton and hydrogen-atom uptake in vanadium dioxide, respectively. Installation of a siloxide moiety on the surface of the Lindqvist core was accomplished via addition of trimethylsilyl trifluoromethylsulfonate to the fully-oxygenated cluster [V₆O₇(OMe)₁₂]^2-. Characterisation of [V₆O₆(OSiMe₃)(OMe)₁₂]^1- by X-ray photoelectron spectroscopy reveals that the incorporation of the siloxide group does not result in charge

SUBMITTER: Chakraborty S 

PROVIDER: S-EPMC8494032 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature