Electronic paddle-wheels in a solid-state electrolyte

Abstract Solid-state superionic conductors (SSICs) are promising alternatives to liquid electrolytes in batteries and other energy storage technologies. The rational design of SSICs and ultimately their deployment in battery technologies is hindered by the lack of a thorough understanding of their i...

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Main Authors: Harender S. Dhattarwal, Rahul Somni, Richard C. Remsing
Format: Article
Language:English
Published: Nature Portfolio 2024-01-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-023-44274-z
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author Harender S. Dhattarwal
Rahul Somni
Richard C. Remsing
author_facet Harender S. Dhattarwal
Rahul Somni
Richard C. Remsing
author_sort Harender S. Dhattarwal
collection DOAJ
description Abstract Solid-state superionic conductors (SSICs) are promising alternatives to liquid electrolytes in batteries and other energy storage technologies. The rational design of SSICs and ultimately their deployment in battery technologies is hindered by the lack of a thorough understanding of their ion conduction mechanisms. In SSICs containing molecular ions, rotational dynamics couple with translational diffusion to create a paddle-wheel effect that facilitates conduction. The paddle-wheel mechanism explains many important features of molecular SSICs, but an explanation for ion conduction and anharmonic lattice dynamics in SSICs composed of monatomic ions is still needed. We predict that ion conduction in the classic SSIC AgI involves electronic paddle-wheels, rotational motion of localized electron pairs that couples to and facilitates ion diffusion. The electronic paddle-wheel mechanism creates a universal perspective for understanding ion conductivity in both monatomic and molecular SSICs that will create design principles for engineering solid-state electrolytes from the electronic level up to the macroscale.
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spelling doaj.art-578b745f2a8c4b5a99157d2ec5224ecf2024-01-07T12:34:38ZengNature PortfolioNature Communications2041-17232024-01-011511610.1038/s41467-023-44274-zElectronic paddle-wheels in a solid-state electrolyteHarender S. Dhattarwal0Rahul Somni1Richard C. Remsing2Department of Chemistry and Chemical Biology, Rutgers UniversityDepartment of Chemistry and Chemical Biology, Rutgers UniversityDepartment of Chemistry and Chemical Biology, Rutgers UniversityAbstract Solid-state superionic conductors (SSICs) are promising alternatives to liquid electrolytes in batteries and other energy storage technologies. The rational design of SSICs and ultimately their deployment in battery technologies is hindered by the lack of a thorough understanding of their ion conduction mechanisms. In SSICs containing molecular ions, rotational dynamics couple with translational diffusion to create a paddle-wheel effect that facilitates conduction. The paddle-wheel mechanism explains many important features of molecular SSICs, but an explanation for ion conduction and anharmonic lattice dynamics in SSICs composed of monatomic ions is still needed. We predict that ion conduction in the classic SSIC AgI involves electronic paddle-wheels, rotational motion of localized electron pairs that couples to and facilitates ion diffusion. The electronic paddle-wheel mechanism creates a universal perspective for understanding ion conductivity in both monatomic and molecular SSICs that will create design principles for engineering solid-state electrolytes from the electronic level up to the macroscale.https://doi.org/10.1038/s41467-023-44274-z
spellingShingle Harender S. Dhattarwal
Rahul Somni
Richard C. Remsing
Electronic paddle-wheels in a solid-state electrolyte
Nature Communications
title Electronic paddle-wheels in a solid-state electrolyte
title_full Electronic paddle-wheels in a solid-state electrolyte
title_fullStr Electronic paddle-wheels in a solid-state electrolyte
title_full_unstemmed Electronic paddle-wheels in a solid-state electrolyte
title_short Electronic paddle-wheels in a solid-state electrolyte
title_sort electronic paddle wheels in a solid state electrolyte
url https://doi.org/10.1038/s41467-023-44274-z
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AT rahulsomni electronicpaddlewheelsinasolidstateelectrolyte
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