Natural abundance solid-state 33S NMR study of NbS3: applications for battery conversion electrodes.
Accepted version
Peer-reviewed
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Repository DOI
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Authors
Britto, Sylvia
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 (CQ ≈ 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.
Description
Keywords
34 Chemical Sciences, 3406 Physical Chemistry
Journal Title
Chem Commun (Camb)
Conference Name
Journal ISSN
1359-7345
1364-548X
1364-548X
Volume Title
55
Publisher
Royal Society of Chemistry (RSC)
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All rights reserved
Sponsorship
US Department of Energy (via State University of New York at Binghamton) (68799)
Engineering and Physical Sciences Research Council (EP/M009521/1)
Engineering and Physical Sciences Research Council (EP/M009521/1)