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Computational Design of Antiperovskite Solid Electrolytes
[Image: see text] In the face of the current climate emergency and the performance, safety, and cost limitations current state-of-art Li-ion batteries present, solid-state batteries are widely anticipated to revolutionize energy storage. The heart of this technology lies in the substitution of liqui...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10518865/ https://www.ncbi.nlm.nih.gov/pubmed/37752904 http://dx.doi.org/10.1021/acs.jpcc.3c04953 |
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author | Dutra, Ana C. C. Dawson, James A. |
author_facet | Dutra, Ana C. C. Dawson, James A. |
author_sort | Dutra, Ana C. C. |
collection | PubMed |
description | [Image: see text] In the face of the current climate emergency and the performance, safety, and cost limitations current state-of-art Li-ion batteries present, solid-state batteries are widely anticipated to revolutionize energy storage. The heart of this technology lies in the substitution of liquid electrolytes with solid counterparts, resulting in potential critical advantages, such as higher energy density and safety profiles. In recent years, antiperovskites have become one of the most studied solid electrolyte families for solid-state battery applications as a result of their salient advantages, which include high ionic conductivity, structural versatility, low cost, and stability against metal anodes. This Review highlights the latest progress in the computational design of Li- and Na-based antiperovskite solid electrolytes, focusing on critical topics for their development, including high-throughput screening for novel compositions, synthesizability, doping, ion transport mechanisms, grain boundaries, and electrolyte–electrode interfaces. Moreover, we discuss the remaining challenges facing these materials and provide our perspective on their possible future advances and applications. |
format | Online Article Text |
id | pubmed-10518865 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-105188652023-09-26 Computational Design of Antiperovskite Solid Electrolytes Dutra, Ana C. C. Dawson, James A. J Phys Chem C Nanomater Interfaces [Image: see text] In the face of the current climate emergency and the performance, safety, and cost limitations current state-of-art Li-ion batteries present, solid-state batteries are widely anticipated to revolutionize energy storage. The heart of this technology lies in the substitution of liquid electrolytes with solid counterparts, resulting in potential critical advantages, such as higher energy density and safety profiles. In recent years, antiperovskites have become one of the most studied solid electrolyte families for solid-state battery applications as a result of their salient advantages, which include high ionic conductivity, structural versatility, low cost, and stability against metal anodes. This Review highlights the latest progress in the computational design of Li- and Na-based antiperovskite solid electrolytes, focusing on critical topics for their development, including high-throughput screening for novel compositions, synthesizability, doping, ion transport mechanisms, grain boundaries, and electrolyte–electrode interfaces. Moreover, we discuss the remaining challenges facing these materials and provide our perspective on their possible future advances and applications. American Chemical Society 2023-09-12 /pmc/articles/PMC10518865/ /pubmed/37752904 http://dx.doi.org/10.1021/acs.jpcc.3c04953 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Dutra, Ana C. C. Dawson, James A. Computational Design of Antiperovskite Solid Electrolytes |
title | Computational Design
of Antiperovskite Solid Electrolytes |
title_full | Computational Design
of Antiperovskite Solid Electrolytes |
title_fullStr | Computational Design
of Antiperovskite Solid Electrolytes |
title_full_unstemmed | Computational Design
of Antiperovskite Solid Electrolytes |
title_short | Computational Design
of Antiperovskite Solid Electrolytes |
title_sort | computational design
of antiperovskite solid electrolytes |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10518865/ https://www.ncbi.nlm.nih.gov/pubmed/37752904 http://dx.doi.org/10.1021/acs.jpcc.3c04953 |
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