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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Bibliographic Details
Main Authors: Marie-Madeleine Walz, David van der Spoel
Format: Article
Language:English
Published: Nature Publishing Group 2021-01-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-020-00446-2
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spelling doaj-ed06946aef3b4087b37bbb2a86bc7aa82021-01-31T12:10:46ZengNature Publishing GroupCommunications Chemistry2399-36692021-01-014111010.1038/s42004-020-00446-2Microscopic origins of conductivity in molten salts unraveled by computer simulationsMarie-Madeleine Walz0David van der Spoel1Department of Cell and Molecular Biology, Uppsala UniversityDepartment of Cell and Molecular Biology, Uppsala UniversityMolten 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.https://doi.org/10.1038/s42004-020-00446-2
collection DOAJ
language English
format Article
sources DOAJ
author Marie-Madeleine Walz
David van der Spoel
spellingShingle Marie-Madeleine Walz
David van der Spoel
Microscopic origins of conductivity in molten salts unraveled by computer simulations
Communications Chemistry
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 Publishing Group
series Communications Chemistry
issn 2399-3669
publishDate 2021-01-01
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.
url https://doi.org/10.1038/s42004-020-00446-2
work_keys_str_mv AT mariemadeleinewalz microscopicoriginsofconductivityinmoltensaltsunraveledbycomputersimulations
AT davidvanderspoel microscopicoriginsofconductivityinmoltensaltsunraveledbycomputersimulations
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