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Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes

Lithium and sodium (Na) mixed polyanion solid electrolytes for all-solid-state batteries display some of the highest ionic conductivities reported to date. However, the effect of polyanion mixing on the ion-transport properties is still not fully understood. Here, we focus on Na(1+x)Zr(2)Si(x)P(3−x)...

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Autores principales: Deng, Zeyu, Mishra, Tara P., Mahayoni, Eunike, Ma, Qianli, Tieu, Aaron Jue Kang, Guillon, Olivier, Chotard, Jean-Noël, Seznec, Vincent, Cheetham, Anthony K., Masquelier, Christian, Gautam, Gopalakrishnan Sai, Canepa, Pieremanuele
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9345873/
https://www.ncbi.nlm.nih.gov/pubmed/35918385
http://dx.doi.org/10.1038/s41467-022-32190-7
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author Deng, Zeyu
Mishra, Tara P.
Mahayoni, Eunike
Ma, Qianli
Tieu, Aaron Jue Kang
Guillon, Olivier
Chotard, Jean-Noël
Seznec, Vincent
Cheetham, Anthony K.
Masquelier, Christian
Gautam, Gopalakrishnan Sai
Canepa, Pieremanuele
author_facet Deng, Zeyu
Mishra, Tara P.
Mahayoni, Eunike
Ma, Qianli
Tieu, Aaron Jue Kang
Guillon, Olivier
Chotard, Jean-Noël
Seznec, Vincent
Cheetham, Anthony K.
Masquelier, Christian
Gautam, Gopalakrishnan Sai
Canepa, Pieremanuele
author_sort Deng, Zeyu
collection PubMed
description Lithium and sodium (Na) mixed polyanion solid electrolytes for all-solid-state batteries display some of the highest ionic conductivities reported to date. However, the effect of polyanion mixing on the ion-transport properties is still not fully understood. Here, we focus on Na(1+x)Zr(2)Si(x)P(3−x)O(12) (0 ≤ x ≤ 3) NASICON electrolyte to elucidate the role of polyanion mixing on the Na-ion transport properties. Although NASICON is a widely investigated system, transport properties derived from experiments or theory vary by orders of magnitude. We use more than 2000 distinct ab initio-based kinetic Monte Carlo simulations to map the compositional space of NASICON over various time ranges, spatial resolutions and temperatures. Via electrochemical impedance spectroscopy measurements on samples with different sodium content, we find that the highest ionic conductivity (i.e., about 0.165 S cm(–1) at 473 K) is experimentally achieved in Na(3.4)Zr(2)Si(2.4)P(0.6)O(12), in line with simulations (i.e., about 0.170 S cm(–1) at 473 K). The theoretical studies indicate that doped NASICON compounds (especially those with a silicon content x ≥ 2.4) can improve the Na-ion mobility compared to undoped NASICON compositions.
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spelling pubmed-93458732022-08-04 Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes Deng, Zeyu Mishra, Tara P. Mahayoni, Eunike Ma, Qianli Tieu, Aaron Jue Kang Guillon, Olivier Chotard, Jean-Noël Seznec, Vincent Cheetham, Anthony K. Masquelier, Christian Gautam, Gopalakrishnan Sai Canepa, Pieremanuele Nat Commun Article Lithium and sodium (Na) mixed polyanion solid electrolytes for all-solid-state batteries display some of the highest ionic conductivities reported to date. However, the effect of polyanion mixing on the ion-transport properties is still not fully understood. Here, we focus on Na(1+x)Zr(2)Si(x)P(3−x)O(12) (0 ≤ x ≤ 3) NASICON electrolyte to elucidate the role of polyanion mixing on the Na-ion transport properties. Although NASICON is a widely investigated system, transport properties derived from experiments or theory vary by orders of magnitude. We use more than 2000 distinct ab initio-based kinetic Monte Carlo simulations to map the compositional space of NASICON over various time ranges, spatial resolutions and temperatures. Via electrochemical impedance spectroscopy measurements on samples with different sodium content, we find that the highest ionic conductivity (i.e., about 0.165 S cm(–1) at 473 K) is experimentally achieved in Na(3.4)Zr(2)Si(2.4)P(0.6)O(12), in line with simulations (i.e., about 0.170 S cm(–1) at 473 K). The theoretical studies indicate that doped NASICON compounds (especially those with a silicon content x ≥ 2.4) can improve the Na-ion mobility compared to undoped NASICON compositions. Nature Publishing Group UK 2022-08-02 /pmc/articles/PMC9345873/ /pubmed/35918385 http://dx.doi.org/10.1038/s41467-022-32190-7 Text en © The Author(s) 2022, corrected publication 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Deng, Zeyu
Mishra, Tara P.
Mahayoni, Eunike
Ma, Qianli
Tieu, Aaron Jue Kang
Guillon, Olivier
Chotard, Jean-Noël
Seznec, Vincent
Cheetham, Anthony K.
Masquelier, Christian
Gautam, Gopalakrishnan Sai
Canepa, Pieremanuele
Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes
title Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes
title_full Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes
title_fullStr Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes
title_full_unstemmed Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes
title_short Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes
title_sort fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9345873/
https://www.ncbi.nlm.nih.gov/pubmed/35918385
http://dx.doi.org/10.1038/s41467-022-32190-7
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