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Structure and Ionic Conductivity of Li-Disordered Bismuth o-Thiophosphate Li(60–3x)Bi(16+x)(PS(4))(36)

[Image: see text] The structure of the first lithium-containing bismuth ortho (o)-thiophosphate was determined using a combination of powder X-ray, neutron, and electron diffraction. Li(60–3x)Bi(16+x)(PS(4))(36) with x in the range of 4.1–6.5 possesses a complex monoclinic structure [space group C2/...

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Autores principales: Plass, Maximilian A., Terban, Maxwell W., Scholz, Tanja, Moudrakovski, Igor, Duppel, Viola, Dinnebier, Robert E., Lotsch, Bettina V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10336968/
https://www.ncbi.nlm.nih.gov/pubmed/37382207
http://dx.doi.org/10.1021/acs.inorgchem.3c01028
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author Plass, Maximilian A.
Terban, Maxwell W.
Scholz, Tanja
Moudrakovski, Igor
Duppel, Viola
Dinnebier, Robert E.
Lotsch, Bettina V.
author_facet Plass, Maximilian A.
Terban, Maxwell W.
Scholz, Tanja
Moudrakovski, Igor
Duppel, Viola
Dinnebier, Robert E.
Lotsch, Bettina V.
author_sort Plass, Maximilian A.
collection PubMed
description [Image: see text] The structure of the first lithium-containing bismuth ortho (o)-thiophosphate was determined using a combination of powder X-ray, neutron, and electron diffraction. Li(60–3x)Bi(16+x)(PS(4))(36) with x in the range of 4.1–6.5 possesses a complex monoclinic structure [space group C2/c (No. 15)] and a large unit cell with the lattice parameters a = 15.4866 Å, b = 10.3232 Å, c = 33.8046 Å, and β = 85.395° for Li(44.4)Bi(21.2)(PS(4))(36), in agreement with the structure as observed by X-ray and neutron pair distribution function analysis. The disordered distribution of lithium ions within the interstices of the dense host structure and the Li ion dynamics and diffusion pathways have been investigated by solid-state nuclear magnetic resonance (NMR) spectroscopy, pulsed field gradient NMR diffusion measurements, and bond valence sum calculations. The total lithium ion conductivities range from 2.6 × 10(–7) to 2.8 × 10(–6) S cm(–1) at 20 °C with activation energies between 0.29 and 0.32 eV, depending on the bismuth content. Despite the highly disordered nature of lithium ions in Li(60–3x)Bi(16+x)(PS(4))(36), the underlying dense host framework appears to limit the dimensionality of the lithium diffusion pathways and emphasizes once more the necessity of a close inspection of the structure–property relationships in solid electrolytes.
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spelling pubmed-103369682023-07-13 Structure and Ionic Conductivity of Li-Disordered Bismuth o-Thiophosphate Li(60–3x)Bi(16+x)(PS(4))(36) Plass, Maximilian A. Terban, Maxwell W. Scholz, Tanja Moudrakovski, Igor Duppel, Viola Dinnebier, Robert E. Lotsch, Bettina V. Inorg Chem [Image: see text] The structure of the first lithium-containing bismuth ortho (o)-thiophosphate was determined using a combination of powder X-ray, neutron, and electron diffraction. Li(60–3x)Bi(16+x)(PS(4))(36) with x in the range of 4.1–6.5 possesses a complex monoclinic structure [space group C2/c (No. 15)] and a large unit cell with the lattice parameters a = 15.4866 Å, b = 10.3232 Å, c = 33.8046 Å, and β = 85.395° for Li(44.4)Bi(21.2)(PS(4))(36), in agreement with the structure as observed by X-ray and neutron pair distribution function analysis. The disordered distribution of lithium ions within the interstices of the dense host structure and the Li ion dynamics and diffusion pathways have been investigated by solid-state nuclear magnetic resonance (NMR) spectroscopy, pulsed field gradient NMR diffusion measurements, and bond valence sum calculations. The total lithium ion conductivities range from 2.6 × 10(–7) to 2.8 × 10(–6) S cm(–1) at 20 °C with activation energies between 0.29 and 0.32 eV, depending on the bismuth content. Despite the highly disordered nature of lithium ions in Li(60–3x)Bi(16+x)(PS(4))(36), the underlying dense host framework appears to limit the dimensionality of the lithium diffusion pathways and emphasizes once more the necessity of a close inspection of the structure–property relationships in solid electrolytes. American Chemical Society 2023-06-29 /pmc/articles/PMC10336968/ /pubmed/37382207 http://dx.doi.org/10.1021/acs.inorgchem.3c01028 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 Plass, Maximilian A.
Terban, Maxwell W.
Scholz, Tanja
Moudrakovski, Igor
Duppel, Viola
Dinnebier, Robert E.
Lotsch, Bettina V.
Structure and Ionic Conductivity of Li-Disordered Bismuth o-Thiophosphate Li(60–3x)Bi(16+x)(PS(4))(36)
title Structure and Ionic Conductivity of Li-Disordered Bismuth o-Thiophosphate Li(60–3x)Bi(16+x)(PS(4))(36)
title_full Structure and Ionic Conductivity of Li-Disordered Bismuth o-Thiophosphate Li(60–3x)Bi(16+x)(PS(4))(36)
title_fullStr Structure and Ionic Conductivity of Li-Disordered Bismuth o-Thiophosphate Li(60–3x)Bi(16+x)(PS(4))(36)
title_full_unstemmed Structure and Ionic Conductivity of Li-Disordered Bismuth o-Thiophosphate Li(60–3x)Bi(16+x)(PS(4))(36)
title_short Structure and Ionic Conductivity of Li-Disordered Bismuth o-Thiophosphate Li(60–3x)Bi(16+x)(PS(4))(36)
title_sort structure and ionic conductivity of li-disordered bismuth o-thiophosphate li(60–3x)bi(16+x)(ps(4))(36)
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10336968/
https://www.ncbi.nlm.nih.gov/pubmed/37382207
http://dx.doi.org/10.1021/acs.inorgchem.3c01028
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