Microscopic origins of conductivity in molten salts unraveled by computer simulations

Molten salt electrolytes are widely used in energy storage and conversion, but our understanding of conductivity trends remains incomplete. Here, computational approaches are used to determine ionic electrical mobilities, local structures, and kinetics, unravelling the origins of conductivity in mol...

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Autores principales:	Marie-Madeleine Walz, David van der Spoel
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/ed06946aef3b4087b37bbb2a86bc7aa8
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spelling	oai:doaj.org-article:ed06946aef3b4087b37bbb2a86bc7aa82021-12-02T14:16:10ZMicroscopic origins of conductivity in molten salts unraveled by computer simulations10.1038/s42004-020-00446-22399-3669https://doaj.org/article/ed06946aef3b4087b37bbb2a86bc7aa82021-01-01T00:00:00Zhttps://doi.org/10.1038/s42004-020-00446-2https://doaj.org/toc/2399-3669Molten salt electrolytes are widely used in energy storage and conversion, but our understanding of conductivity trends remains incomplete. Here, computational approaches are used to determine ionic electrical mobilities, local structures, and kinetics, unravelling the origins of conductivity in molten lithium halide salts.Marie-Madeleine WalzDavid van der SpoelNature PortfolioarticleChemistryQD1-999ENCommunications Chemistry, Vol 4, Iss 1, Pp 1-10 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Chemistry QD1-999
spellingShingle	Chemistry QD1-999 Marie-Madeleine Walz David van der Spoel Microscopic origins of conductivity in molten salts unraveled by computer simulations
description	Molten salt electrolytes are widely used in energy storage and conversion, but our understanding of conductivity trends remains incomplete. Here, computational approaches are used to determine ionic electrical mobilities, local structures, and kinetics, unravelling the origins of conductivity in molten lithium halide salts.
format	article
author	Marie-Madeleine Walz David van der Spoel
author_facet	Marie-Madeleine Walz David van der Spoel
author_sort	Marie-Madeleine Walz
title	Microscopic origins of conductivity in molten salts unraveled by computer simulations
title_short	Microscopic origins of conductivity in molten salts unraveled by computer simulations
title_full	Microscopic origins of conductivity in molten salts unraveled by computer simulations
title_fullStr	Microscopic origins of conductivity in molten salts unraveled by computer simulations
title_full_unstemmed	Microscopic origins of conductivity in molten salts unraveled by computer simulations
title_sort	microscopic origins of conductivity in molten salts unraveled by computer simulations
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/ed06946aef3b4087b37bbb2a86bc7aa8
work_keys_str_mv	AT mariemadeleinewalz microscopicoriginsofconductivityinmoltensaltsunraveledbycomputersimulations AT davidvanderspoel microscopicoriginsofconductivityinmoltensaltsunraveledbycomputersimulations
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Microscopic origins of conductivity in molten salts unraveled by computer simulations

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