skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on September 26, 2020

Title: Natural abundance solid-state 33 S NMR study of NbS 3 : applications for battery conversion electrodes

Abstract

The first known solid-state 33 S NMR spectrum of disulfide (S 2 2− ) anions is reported, in the Li-ion battery conversion material NbS 3 .

Authors:
ORCiD logo [1];  [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]
  1. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, UK
  2. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, UK, Department of Physics, Chalmers University of Technology, 412 96, Gothenburg
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1569494
Grant/Contract Number:  
SC0012583
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
ChemComm
Additional Journal Information:
Journal Name: ChemComm Journal Volume: 55 Journal Issue: 84; Journal ID: ISSN 1359-7345
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Halat, David M., Britto, Sylvia, Griffith, Kent J., Jónsson, Erlendur, and Grey, Clare P. Natural abundance solid-state 33 S NMR study of NbS 3 : applications for battery conversion electrodes. United Kingdom: N. p., 2019. Web. doi:10.1039/C9CC06059F.
Halat, David M., Britto, Sylvia, Griffith, Kent J., Jónsson, Erlendur, & Grey, Clare P. Natural abundance solid-state 33 S NMR study of NbS 3 : applications for battery conversion electrodes. United Kingdom. doi:10.1039/C9CC06059F.
Halat, David M., Britto, Sylvia, Griffith, Kent J., Jónsson, Erlendur, and Grey, Clare P. Thu . "Natural abundance solid-state 33 S NMR study of NbS 3 : applications for battery conversion electrodes". United Kingdom. doi:10.1039/C9CC06059F.
@article{osti_1569494,
title = {Natural abundance solid-state 33 S NMR study of NbS 3 : applications for battery conversion electrodes},
author = {Halat, David M. and Britto, Sylvia and Griffith, Kent J. and Jónsson, Erlendur and Grey, Clare P.},
abstractNote = {The first known solid-state 33 S NMR spectrum of disulfide (S 2 2− ) anions is reported, in the Li-ion battery conversion material NbS 3 .},
doi = {10.1039/C9CC06059F},
journal = {ChemComm},
number = 84,
volume = 55,
place = {United Kingdom},
year = {2019},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on September 26, 2020
Publisher's Version of Record

Save / Share:

Works referenced in this record:

Diffraction from Disordered Stacking Sequences in MoS 2 and WS 2 Fullerenes and Nanotubes
journal, November 2012

  • Houben, L.; Enyashin, A. N.; Feldman, Y.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 45
  • DOI: 10.1021/jp3080139

In Situ Solid-State NMR Spectroscopy of Electrochemical Cells: Batteries, Supercapacitors, and Fuel Cells
journal, June 2013

  • Blanc, Frédéric; Leskes, Michal; Grey, Clare P.
  • Accounts of Chemical Research, Vol. 46, Issue 9
  • DOI: 10.1021/ar400022u

Solid state 33S NMR of inorganic sulfides
journal, April 2003


A 93 Nb Solid-State NMR and Density Functional Theory Study of Four- and Six-Coordinate Niobate Systems
journal, March 2010

  • Hanna, John V.; Pike, Kevin J.; Charpentier, Thibault
  • Chemistry - A European Journal, Vol. 16, Issue 10
  • DOI: 10.1002/chem.200901581

The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode materials
journal, May 2016

  • Seo, Dong-Hwa; Lee, Jinhyuk; Urban, Alexander
  • Nature Chemistry, Vol. 8, Issue 7
  • DOI: 10.1038/nchem.2524

A natural abundance 33 S solid-state NMR study of layered transition metaldisulfides at ultrahigh magnetic field
journal, January 2009

  • Sutrisno, Andre; Terskikh, Victor V.; Huang, Yining
  • Chem. Commun., Issue 2
  • DOI: 10.1039/B817017G

Zinc Blende Magnesium Sulfide in Rechargeable Magnesium-Sulfur Batteries
journal, September 2018


Nuclear Spin-Echo Fourier-Transform Mapping Spectroscopy for Broad NMR Lines in Solids
journal, March 1996


Advancements in natural abundance solid-state 33 S MAS NMR: characterization of transition-metal MS bonds in ammonium tetrathiometallates
journal, January 2007

  • Jakobsen, Hans J.; Hove, Anders R.; Bildsøe, Henrik
  • Chem. Commun., Issue 16
  • DOI: 10.1039/B618497A

Enhanced efficiency of solid-state NMR investigations of energy materials using an external automatic tuning/matching (eATM) robot
journal, February 2017


Materials’ Methods: NMR in Battery Research
journal, November 2016


Natural-Abundance Solid-State33S NMR with High-Speed Magic-Angle Spinning
journal, December 1996

  • Daunch, William A.; Rinaldi, Peter L.
  • Journal of Magnetic Resonance, Series A, Vol. 123, Issue 2
  • DOI: 10.1006/jmra.1996.0240

Testing the sensitivity limits of 33S NMR: An ultra-wideline study of elemental sulfur
journal, December 2010


Analysis of electric field gradient tensors at quadrupolar nuclei in common structural motifs
journal, March 2010

  • Autschbach, Jochen; Zheng, Shaohui; Schurko, Robert W.
  • Concepts in Magnetic Resonance Part A, Vol. 36A, Issue 2
  • DOI: 10.1002/cmr.a.20155

Monoclinic structures of niobium trisulfide
journal, February 2018

  • Bloodgood, Matthew A.; Wei, Pingrong; Aytan, Ece
  • APL Materials, Vol. 6, Issue 2
  • DOI: 10.1063/1.5005813

Reactivity of transition metal (Co, Ni, Cu) sulphides versus lithium: The intriguing case of the copper sulphide
journal, June 2006


Identification of lithium–sulfur battery discharge products through 6Li and 33S solid-state MAS and 7Li solution NMR spectroscopy
journal, January 2015


Lithium Secondary Battery Using Monoclinic NbS[sub 3] Prepared under High Pressure
journal, January 1986

  • Yamamoto, T.
  • Journal of The Electrochemical Society, Vol. 133, Issue 8
  • DOI: 10.1149/1.2108968

Solid-state 33S MAS NMR of inorganic sulfates
journal, October 2004

  • Wagler, Todd A.; Daunch, William A.; Panzner, Matthew
  • Journal of Magnetic Resonance, Vol. 170, Issue 2
  • DOI: 10.1016/j.jmr.2004.07.011

Multiple Redox Modes in the Reversible Lithiation of High-Capacity, Peierls-Distorted Vanadium Sulfide
journal, June 2015

  • Britto, Sylvia; Leskes, Michal; Hua, Xiao
  • Journal of the American Chemical Society, Vol. 137, Issue 26
  • DOI: 10.1021/jacs.5b03395

Electrochemical verification of the redox mechanism of FeS2 in a rechargeable lithium battery
journal, September 2015


Structural assessment of anhydrous sulfates with high field 33S solid state NMR and first principles calculations
journal, January 2013

  • Pallister, Peter J.; Moudrakovski, Igor L.; Enright, Gary D.
  • CrystEngComm, Vol. 15, Issue 43
  • DOI: 10.1039/c3ce41233d

The crystal structure of niobium trisulfide, NbS3
journal, August 1978


71Ga and 69Ga nuclear magnetic resonance study of β-Ga2O3: resolution of four- and six-fold coordinated Ga sites in static conditions
journal, May 1995

  • Massiot, Dominique; Farnan, Ian; Gautier, Nathalie
  • Solid State Nuclear Magnetic Resonance, Vol. 4, Issue 4
  • DOI: 10.1016/0926-2040(95)00002-8

Experimental sulphur-33 nuclear magnetic resonance spectroscopy
journal, January 1985

  • Belton, Peter S.; Cox, I. Jane; Harris, R. K.
  • Journal of the Chemical Society, Faraday Transactions 2, Vol. 81, Issue 1
  • DOI: 10.1039/f29858100063

Signal enhancement in NMR spectra of half-integer quadrupolar nuclei via DFS–QCPMG and RAPT–QCPMG pulse sequences
journal, September 2003


Pyrite as cathode insertion material in rechargeable lithium/composite polymer electrolyte batteries
journal, September 1999


QUEST—QUadrupolar Exact SofTware: A fast graphical program for the exact simulation of NMR and NQR spectra for quadrupolar nuclei
journal, July 2012

  • Perras, Frédéric A.; Widdifield, Cory M.; Bryce, David L.
  • Solid State Nuclear Magnetic Resonance, Vol. 45-46
  • DOI: 10.1016/j.ssnmr.2012.05.002

Low dimensional V, Nb and Ta chalcogenides from finite and infinite condensation of [M2X4] units (X  S, Se)
journal, February 1986


Charge—discharge characteristics and structural change in various niobium sulfide cathodes for lithium-nonaqueous secondary batteries
journal, August 1982


Sensitivity enhancement in natural-abundance solid-state 33S MAS NMR spectroscopy employing adiabatic inversion pulses to the satellite transitions
journal, February 2008

  • Hansen, Michael Ryan; Brorson, Michael; Bildsøe, Henrik
  • Journal of Magnetic Resonance, Vol. 190, Issue 2
  • DOI: 10.1016/j.jmr.2007.11.014

First principles methods using CASTEP
journal, January 2005

  • Clark, Stewart J.; Segall, Matthew D.; Pickard, Chris J.
  • Zeitschrift für Kristallographie - Crystalline Materials, Vol. 220, Issue 5/6
  • DOI: 10.1524/zkri.220.5.567.65075

Visualization and processing of computed solid-state NMR parameters: MagresView and MagresPython
journal, September 2016

  • Sturniolo, Simone; Green, Timothy F. G.; Hanson, Robert M.
  • Solid State Nuclear Magnetic Resonance, Vol. 78
  • DOI: 10.1016/j.ssnmr.2016.05.004

The two components of the crystallographic transition in VO2
journal, November 1971


Peierls distortion, chain polytypism, and dislocation coupling in NbS3
journal, July 1978

  • Cornelissens, T.; Van Tendeloo, G.; Van Landuyt, J.
  • Physica Status Solidi (a), Vol. 48, Issue 1
  • DOI: 10.1002/pssa.2210480138

Quantum-chemical study of quasi-one-dimensional vanadium and niobium sulfides with Peierls distortion
journal, December 2016

  • Kozlova, M. N.; Enyashin, A. N.; Fedorov, V. E.
  • Journal of Structural Chemistry, Vol. 57, Issue 8
  • DOI: 10.1134/S0022476616080035

33S MAS NMR of a disordered sulfur-doped silicate: Signal enhancement via RAPT, QCPMG and adiabatic pulses
journal, February 2009


A high-resolution natural abundance 33 S MAS NMR study of the cementitious mineral ettringite
journal, January 2017

  • Sasaki, Akiko; Ibarra, Luis Baquerizo; Wimperis, Stephen
  • Physical Chemistry Chemical Physics, Vol. 19, Issue 35
  • DOI: 10.1039/C7CP04435F

Colloidal solutions of niobium trisulfide and niobium triselenide
journal, January 2014

  • Fedorov, Vladimir E.; Artemkina, Sofya B.; Grayfer, Ekaterina D.
  • J. Mater. Chem. C, Vol. 2, Issue 28
  • DOI: 10.1039/C4TC00459K