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Diffusion mechanism in the sodium-ion battery material sodium cobaltate

High performance batteries based on the movement of Li ions in Li(x)CoO(2) have made possible a revolution in mobile electronic technology, from laptops to mobile phones. However, the scarcity of Li and the demand for energy storage for renewables has led to intense interest in Na-ion batteries, inc...

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Autores principales: Willis, T. J., Porter, D. G., Voneshen, D. J., Uthayakumar, S., Demmel, F., Gutmann, M. J., Roger, M., Refson, K., Goff, J. P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5816598/
https://www.ncbi.nlm.nih.gov/pubmed/29453391
http://dx.doi.org/10.1038/s41598-018-21354-5
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author Willis, T. J.
Porter, D. G.
Voneshen, D. J.
Uthayakumar, S.
Demmel, F.
Gutmann, M. J.
Roger, M.
Refson, K.
Goff, J. P.
author_facet Willis, T. J.
Porter, D. G.
Voneshen, D. J.
Uthayakumar, S.
Demmel, F.
Gutmann, M. J.
Roger, M.
Refson, K.
Goff, J. P.
author_sort Willis, T. J.
collection PubMed
description High performance batteries based on the movement of Li ions in Li(x)CoO(2) have made possible a revolution in mobile electronic technology, from laptops to mobile phones. However, the scarcity of Li and the demand for energy storage for renewables has led to intense interest in Na-ion batteries, including structurally-related Na(x)CoO(2). Here we have determined the diffusion mechanism for Na(0.8)CoO(2) using diffuse x-ray scattering, quasi-elastic neutron scattering and ab-initio molecular dynamics simulations, and we find that the sodium ordering provides diffusion pathways and governs the diffusion rate. Above T ~ 290 K the so-called partially disordered stripe superstructure provides channels for quasi-1D diffusion, and melting of the sodium ordering leads to 2D superionic diffusion above T ~ 370 K. We obtain quantitative agreement between our microscopic study of the hopping mechanism and bulk self-diffusion measurements. Our approach can be applied widely to other Na- or Li-ion battery materials.
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spelling pubmed-58165982018-02-21 Diffusion mechanism in the sodium-ion battery material sodium cobaltate Willis, T. J. Porter, D. G. Voneshen, D. J. Uthayakumar, S. Demmel, F. Gutmann, M. J. Roger, M. Refson, K. Goff, J. P. Sci Rep Article High performance batteries based on the movement of Li ions in Li(x)CoO(2) have made possible a revolution in mobile electronic technology, from laptops to mobile phones. However, the scarcity of Li and the demand for energy storage for renewables has led to intense interest in Na-ion batteries, including structurally-related Na(x)CoO(2). Here we have determined the diffusion mechanism for Na(0.8)CoO(2) using diffuse x-ray scattering, quasi-elastic neutron scattering and ab-initio molecular dynamics simulations, and we find that the sodium ordering provides diffusion pathways and governs the diffusion rate. Above T ~ 290 K the so-called partially disordered stripe superstructure provides channels for quasi-1D diffusion, and melting of the sodium ordering leads to 2D superionic diffusion above T ~ 370 K. We obtain quantitative agreement between our microscopic study of the hopping mechanism and bulk self-diffusion measurements. Our approach can be applied widely to other Na- or Li-ion battery materials. Nature Publishing Group UK 2018-02-16 /pmc/articles/PMC5816598/ /pubmed/29453391 http://dx.doi.org/10.1038/s41598-018-21354-5 Text en © The Author(s) 2018 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Willis, T. J.
Porter, D. G.
Voneshen, D. J.
Uthayakumar, S.
Demmel, F.
Gutmann, M. J.
Roger, M.
Refson, K.
Goff, J. P.
Diffusion mechanism in the sodium-ion battery material sodium cobaltate
title Diffusion mechanism in the sodium-ion battery material sodium cobaltate
title_full Diffusion mechanism in the sodium-ion battery material sodium cobaltate
title_fullStr Diffusion mechanism in the sodium-ion battery material sodium cobaltate
title_full_unstemmed Diffusion mechanism in the sodium-ion battery material sodium cobaltate
title_short Diffusion mechanism in the sodium-ion battery material sodium cobaltate
title_sort diffusion mechanism in the sodium-ion battery material sodium cobaltate
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5816598/
https://www.ncbi.nlm.nih.gov/pubmed/29453391
http://dx.doi.org/10.1038/s41598-018-21354-5
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