Microscopic origins of conductivity in molten salts unraveled by computer simulations

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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Auteurs principaux: Marie-Madeleine Walz, David van der Spoel
Format: article
Langue:EN
Publié: Nature Portfolio 2021
Sujets:
Chemistry
QD1-999
Accès en ligne: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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