# Filling the Gaps in the LiBr-LiOH Phase Diagram: A Study on the High-Temperature Li<sub>3</sub>(OH)<sub>2</sub>Br Phase

https://mdr.nims.go.jp/datasets/1ee412cb-8d04-49ee-94c5-b04bd06e2eff

## File

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## Id

1ee412cb-8d04-49ee-94c5-b04bd06e2eff

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-05-09T02:40:43.653065Z

## Updated at

2025-05-09T07:30:23.629554Z

## Published at

2025-05-09T07:21:37.189820Z

## Doi



## First published url

https://doi.org/10.1021/acs.chemmater.5c00206

## Date published

2025-04-22

## Recorded date published

2025-4-22

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: 'Filling the Gaps in the LiBr-LiOH Phase Diagram: A Study on the High-Temperature
    Li<sub>3</sub>(OH)<sub>2</sub>Br Phase'
  title_type: original
  lang: en

## Description

- description: 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.
  description_type: abstract
  lang: und

## Creator

- name: Emily Milan
  role: author
- name: James A. Quirk
  role: author
- name: Kenjiro Hashi
  role: author
  orcid: https://orcid.org/0000-0002-0320-4768
- name: John Cattermull
  role: author
  orcid: https://orcid.org/0009-0006-5209-3132
- name: Andrew L. Goodwin
  role: author
- name: James A. Dawson
  role: author
  orcid: https://orcid.org/0000-0002-3946-5337
- name: Mauro Pasta
  role: author
  orcid: https://orcid.org/0000-0002-2613-4555

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: NMR
  schema: not_defined
- subject: High temperature
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Chemistry of Materials
  issn: '08974756'
  volume: '37'
  issue: '8'
  start_page: 2899
  end_page: 2906

## Conference



## Related item



## Funding

- identifier: EP/T517811/1
  funder_name: Engineering and Physical Sciences Research Council
- identifier: EP/X035859
  funder_name: Engineering and Physical Sciences Research Council
- identifier: EP/Z000254/1
  funder_name: UK Research and Innovation
- identifier: EP/R010145/1
  funder_name: Henry Royce Institute
- identifier: '788144'
  funder_name: European Research Council

## Instrument



## Instrument operator



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## Measurement method



## Specimen



## Chemical composition



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## Structural feature for specimen



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## Process for specimen treatment



## Computational method



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## Fileset

- id: 96f436c6-d14d-4f70-8d48-ab421d8d583d
  filename: milan-et-al-2025-filling-the-gaps-in-the-libr-lioh-phase-diagram-a-study-on-the-high-temperature-li3(oh)2br-phase-1.pdf
  content_type: application/pdf
  size: 3741389
  md5: 98b5a764bcca579e560c78a72cff13b7

## Thumbnail

fileset_id: 96f436c6-d14d-4f70-8d48-ab421d8d583d
filename: milan-et-al-2025-filling-the-gaps-in-the-libr-lioh-phase-diagram-a-study-on-the-high-temperature-li3(oh)2br-phase-1.pdf