Natural abundance solid-state 33S NMR study of NbS3: applications for battery conversion electrodes

Abstract

We report ultra-wideline, high-field natural abundance solid-state ³³S NMR spectra of the Li-ion battery conversion electrode NbS₃, the first ³³S NMR study of a compound containing disulfide (S₂²⁻) units. The large quadrupolar coupling parameters (C_Q ≈ 31 MHz) are consistent with values obtained from DFT calculations, and the spectra provide evidence for the linear Peierls distortion that doubles the number of ³³S sites.