Discovery of oxide Li-conducting electrolytes with corner-sharing frameworks via topology-constrained crystal structure prediction

Sungwoo Kang; Seungwoo Hwang; Jiho Lee; Jisu Kim; Seungwu Han; Youngho Kang

doi:10.1039/d6ta01092j

January 1, 2026Journal of Materials Chemistry AOpen Access

Discovery of oxide Li-conducting electrolytes with corner-sharing frameworks via topology-constrained crystal structure prediction

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Key Points

The aim is to discover new oxide Li-conducting solid-state electrolytes with enhanced ionic conductivity.
Employs topology-constrained crystal structure prediction techniques
Analyzes ionic conductivity and stability of newly predicted materials
Compares new electrolytes against existing sulfides and chlorides
Identifies several novel oxide materials with promising conductivity characteristics
Demonstrates improved stability over traditional sulfide and chloride electrolytes
Suggests potential applications in solid-state batteries due to enhanced performance

Implication

Reveals new oxide electrolytes with improved ionic conductivity in solid-state systems, suggesting potential advancements for energy storage technologies.

Abstract

Oxide Li-conducting solid-state electrolytes (SSEs) offer excellent chemical and thermal stability but typically exhibit lower ionic conductivity than sulfides and chlorides. This motivates the search for new oxide materials with...

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Cite This Study

Kang et al. (2026) studied this question.

synapsesocial.com/papers/69df2bece4eeef8a2a6b0c98 https://doi.org/10.1039/d6ta01092j

View Full Paper

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Discovery of oxide Li-conducting electrolytes with corner-sharing frameworks via topology-constrained crystal structure prediction

Key Points

Implication

Abstract

Discussion

Cite This Study

Discovery of oxide Li-conducting electrolytes with corner-sharing frameworks via topology-constrained crystal structure prediction

Key Points

Implication

Abstract

Discussion

Cite This Study

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