Diffusion mechanism in the sodium-ion battery material sodium cobaltate

Abstract High performance batteries based on the movement of Li ions in Li x CoO2 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 batteri...

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Autores principales:	T. J. Willis, D. G. Porter, D. J. Voneshen, S. Uthayakumar, F. Demmel, M. J. Gutmann, M. Roger, K. Refson, J. P. Goff
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/70e5197bca414449acff7ed144a9b660
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spelling	oai:doaj.org-article:70e5197bca414449acff7ed144a9b6602021-12-02T15:07:46ZDiffusion mechanism in the sodium-ion battery material sodium cobaltate10.1038/s41598-018-21354-52045-2322https://doaj.org/article/70e5197bca414449acff7ed144a9b6602018-02-01T00:00:00Zhttps://doi.org/10.1038/s41598-018-21354-5https://doaj.org/toc/2045-2322Abstract High performance batteries based on the movement of Li ions in Li x CoO2 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 CoO2. Here we have determined the diffusion mechanism for Na0.8CoO2 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.T. J. WillisD. G. PorterD. J. VoneshenS. UthayakumarF. DemmelM. J. GutmannM. RogerK. RefsonJ. P. GoffNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 8, Iss 1, Pp 1-10 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q T. J. Willis D. G. Porter D. J. Voneshen S. Uthayakumar F. Demmel M. J. Gutmann M. Roger K. Refson J. P. Goff Diffusion mechanism in the sodium-ion battery material sodium cobaltate
description	Abstract High performance batteries based on the movement of Li ions in Li x CoO2 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 CoO2. Here we have determined the diffusion mechanism for Na0.8CoO2 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.
format	article
author	T. J. Willis D. G. Porter D. J. Voneshen S. Uthayakumar F. Demmel M. J. Gutmann M. Roger K. Refson J. P. Goff
author_facet	T. J. Willis D. G. Porter D. J. Voneshen S. Uthayakumar F. Demmel M. J. Gutmann M. Roger K. Refson J. P. Goff
author_sort	T. J. Willis
title	Diffusion mechanism in the sodium-ion battery material sodium cobaltate
title_short	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_sort	diffusion mechanism in the sodium-ion battery material sodium cobaltate
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/70e5197bca414449acff7ed144a9b660
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Diffusion mechanism in the sodium-ion battery material sodium cobaltate

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