Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials

10.1038/s41524-022-00837-0

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Main Authors:	Devi, Reshma, Singh, Baltej Gill, Pieremanuele, Canepa
Other Authors:	MATERIALS SCIENCE AND ENGINEERING
Format:	Article
Published:	Springer Nature 2022
Online Access:	https://scholarbank.nus.edu.sg/handle/10635/229414
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Institution:	National University of Singapore

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spelling	sg-nus-scholar.10635-2294142024-04-17T02:40:49Z Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials Devi, Reshma Singh, Baltej Gill Pieremanuele, Canepa MATERIALS SCIENCE AND ENGINEERING 10.1038/s41524-022-00837-0 npj Computational Materials 2022-07-29T06:27:08Z 2022-07-29T06:27:08Z 2022-06-22 2022-07-18T08:51:00Z Article Devi, Reshma, Singh, Baltej Gill, Pieremanuele, Canepa (2022-06-22). Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials. npj Computational Materials. ScholarBank@NUS Repository. https://doi.org/10.1038/s41524-022-00837-0 2057-3960 https://scholarbank.nus.edu.sg/handle/10635/229414 Springer Nature Elements
institution	National University of Singapore
building	NUS Library
continent	Asia
country	Singapore Singapore
content_provider	NUS Library
collection	ScholarBank@NUS
description	10.1038/s41524-022-00837-0
author2	MATERIALS SCIENCE AND ENGINEERING
author_facet	MATERIALS SCIENCE AND ENGINEERING Devi, Reshma Singh, Baltej Gill Pieremanuele, Canepa
format	Article
author	Devi, Reshma Singh, Baltej Gill Pieremanuele, Canepa
spellingShingle	Devi, Reshma Singh, Baltej Gill Pieremanuele, Canepa Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials
author_sort	Devi, Reshma
title	Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials
title_short	Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials
title_full	Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials
title_fullStr	Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials
title_full_unstemmed	Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials
title_sort	effect of exchange-correlation functionals on the estimation of migration barriers in battery materials
publisher	Springer Nature
publishDate	2022
url	https://scholarbank.nus.edu.sg/handle/10635/229414
_version_	1800915532548931584

Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials

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