Natural abundance solid-state S-33 NMR study of NbS3: applications for battery conversion electrodes
Journal article, 2019
We report ultra-wideline, high-field natural abundance solid-state S-33 NMR spectra of the Li-ion battery conversion electrode NbS3, the first S-33 NMR study of a compound containing disulfide (S-2(2-)) units. The large quadrupolar coupling parameters (C-Q approximate to 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 S-33 sites.
Author
David M. Halat
University of California at Berkeley
University of Cambridge
Sylvia Britto
Diamond Light Source
University of Cambridge
Kent J. Griffith
University of Cambridge
Northwestern University
Erlendur Jonsson
Chalmers, Physics, Materials Physics
Clare P. Grey
University of Cambridge
Chemical Communications
1359-7345 (ISSN) 1364-548X (eISSN)
Vol. 55 84 12687-12690Subject Categories
Inorganic Chemistry
Analytical Chemistry
Theoretical Chemistry
DOI
10.1039/c9cc06059f
PubMed
31588461