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Understanding the structure–property relationships in glasses remains challenging owing to their structural complexity, especially in multicomponent practical glasses. In this work, neutron diffraction with isotopic substitution was employed to investigate lithium coordination environments in halide (chloride and/or bromide)-doped borate glasses, which exhibit variations in lithium-ion conductivity associated with anion mixing. Lithium-specific neutron pair distribution function analysis reveals that the conductivity enhancement in oxide–halide mixed glasses originates from the breaking of one short Li–O bond and the formation of two longer Li–halogen bonds. The formation of LiO3Cl2 and LiO3Br2 units is observed in chloride- and bromide-doped glasses, respectively, whereas a glass containing equal amounts of chloride and bromide exhibits LiO3ClBr units in addition to LiO3Cl2 and LiO3Br2 units. These results suggest that the coexistence of multiple lithium–oxygen–halogen polyhedral units hinders lithium-ion migration, leading to reduced ionic conductivity in halide–halide mixed glasses. This work provides new insights into the structure–property relationships in lithium-ion conducting glasses through lithium-specific structural analysis.

Rights:

• https://creativecommons.org/licenses/by/3.0/
  

Keyword: ガラス, 固体電解質, リチウムイオン伝導, 同位体置換中性子回折, 元素選択量子ビーム計測

Date published: 2026-04-01

Publisher: Royal Society of Chemistry (RSC)

Journal:

• Journal of Materials Chemistry A (ISSN: 20507488) vol. 14 issue. 35 p. 23026-23037

Funding:

• Japan Society for the Promotion of Science 20H05878
• Japan Society for the Promotion of Science 20H05881

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

MDR DOI:

First published URL: https://doi.org/10.1039/d5ta10123a

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Updated at: 2026-06-17 09:22:38 +0900

Published on MDR: 2026-06-17 12:39:58 +0900