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Title: Evolution of lithium ordering with (de)-lithiation in β-LiVOPO 4 : insights through solid-state NMR and first principles DFT calculations

Abstract

Solid-state NMR combined with DFT calculations are used to characterise metastable phases formed during (electro)chemical lithiation of β-(Li)VOPO 4 .

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2];  [2]; ORCiD logo [1];  [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [1]
  1. Department of Chemistry, University of Cambridge, Cambridge, UK
  2. NorthEast Center for Chemical Energy Storage at Binghamton University, Binghamton, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1602589
Grant/Contract Number:  
[SC0012583]
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Materials Chemistry. A
Additional Journal Information:
[Journal Name: Journal of Materials Chemistry. A Journal Volume: 8 Journal Issue: 11]; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Britto, Sylvia, Seymour, Ieuan D., Halat, David M., Hidalgo, Marc F. V., Siu, Carrie, Reeves, Philip J., Zhou, Hui, Chernova, Natasha A., Whittingham, M. Stanley, and Grey, Clare P. Evolution of lithium ordering with (de)-lithiation in β-LiVOPO 4 : insights through solid-state NMR and first principles DFT calculations. United Kingdom: N. p., 2020. Web. doi:10.1039/D0TA00121J.
Britto, Sylvia, Seymour, Ieuan D., Halat, David M., Hidalgo, Marc F. V., Siu, Carrie, Reeves, Philip J., Zhou, Hui, Chernova, Natasha A., Whittingham, M. Stanley, & Grey, Clare P. Evolution of lithium ordering with (de)-lithiation in β-LiVOPO 4 : insights through solid-state NMR and first principles DFT calculations. United Kingdom. doi:10.1039/D0TA00121J.
Britto, Sylvia, Seymour, Ieuan D., Halat, David M., Hidalgo, Marc F. V., Siu, Carrie, Reeves, Philip J., Zhou, Hui, Chernova, Natasha A., Whittingham, M. Stanley, and Grey, Clare P. Tue . "Evolution of lithium ordering with (de)-lithiation in β-LiVOPO 4 : insights through solid-state NMR and first principles DFT calculations". United Kingdom. doi:10.1039/D0TA00121J.
@article{osti_1602589,
title = {Evolution of lithium ordering with (de)-lithiation in β-LiVOPO 4 : insights through solid-state NMR and first principles DFT calculations},
author = {Britto, Sylvia and Seymour, Ieuan D. and Halat, David M. and Hidalgo, Marc F. V. and Siu, Carrie and Reeves, Philip J. and Zhou, Hui and Chernova, Natasha A. and Whittingham, M. Stanley and Grey, Clare P.},
abstractNote = {Solid-state NMR combined with DFT calculations are used to characterise metastable phases formed during (electro)chemical lithiation of β-(Li)VOPO 4 .},
doi = {10.1039/D0TA00121J},
journal = {Journal of Materials Chemistry. A},
number = [11],
volume = [8],
place = {United Kingdom},
year = {2020},
month = {3}
}

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