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

doi:10.1039/C9CC06059F

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:

^[1]; Britto, Sylvia ^[1];

^[1];

^[2];

^[1]

Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, UK
Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, UK, Department of Physics, Chalmers University of Technology, 412 96, Gothenburg

Publication Date:: 2019-10-17

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

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.

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                    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.

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                    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.

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@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}

}

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DOI: 10.1039/C9CC06059F

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

Abstract

Citation Formats

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

Electron correlations and electron-lattice interactions in the metal-insulator, ferroelastic transition in V O 2 : A thermodynamical study journal, December 1980

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

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

Insertion of bivalent cations into monoclinic NbS3 prepared under high pressure and their secondary batteries journal, March 1995

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

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

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

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

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

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

Monoclinic structures of niobium trisulfide journal, February 2018

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

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

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

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

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

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

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

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

First principles methods using CASTEP journal, January 2005

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

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

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

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

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

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

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

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

Electron correlations and electron-lattice interactions in the metal-insulator, ferroelastic transition in V $O_{2}$ : A thermodynamical study
journal, December 1980

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

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

Insertion of bivalent cations into monoclinic NbS3 prepared under high pressure and their secondary batteries
journal, March 1995

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

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

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

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

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

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

Monoclinic structures of niobium trisulfide
journal, February 2018

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

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

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

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

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

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

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

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

First principles methods using CASTEP
journal, January 2005

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

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

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

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

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

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