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

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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.

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

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Publication details

The article was received on 04 Aug 2019, accepted on 23 Sep 2019 and first published on 26 Sep 2019


Article type: Communication
DOI: 10.1039/C9CC06059F
Chem. Commun., 2019, Advance Article

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

    D. M. Halat, S. Britto, K. J. Griffith, E. Jónsson and C. P. Grey, Chem. Commun., 2019, Advance Article , DOI: 10.1039/C9CC06059F

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