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In this paper, we build on previous work to characterize a phase with stoichiometry Li3(OH)2Br existing between ∼225 and ∼275 °C in the LiBr-LiOH phase diagram. Diffraction studies indicate that the phase takes a hexagonal unit cell, and theoretical modeling is used to suggest a possible crystal structure. Nuclear magnetic resonance spectroscopy and electrochemical impedance spectroscopy measurements demonstrate excellent lithium-ion dynamics in this phase, with an ionic conductivity of 0.12 S cm−1 at 250 °C. Initial attempts to stabilize this phase at room temperature through quenching were not successful. Instead, a metastable state demonstrating poor ionic conductivity is found to form. This is an important consideration for the synthesis of Li2OHBr solid-state electrolytes (also found in the LiBr-LiOH phase diagram) which are synthesized by cooling through phase fields containing Li3(OH)2Br, and are hence susceptible to these impurities.

Rights:

• Creative Commons BY Attribution 4.0 International
  

Keyword: NMR, High temperature

Date published: 2025-04-22

Publisher: American Chemical Society (ACS)

Journal:

• Chemistry of Materials (ISSN: 08974756) vol. 37 issue. 8 p. 2899-2906

Funding:

• Engineering and Physical Sciences Research Council EP/T517811/1
• Engineering and Physical Sciences Research Council EP/X035859
• UK Research and Innovation EP/Z000254/1
• Henry Royce Institute EP/R010145/1
• European Research Council 788144

Manuscript type: Publisher's version (Version of record)

MDR DOI:

First published URL: https://doi.org/10.1021/acs.chemmater.5c00206

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Updated at: 2025-05-09 16:30:23 +0900

Published on MDR: 2025-05-09 16:21:37 +0900