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Updated: Jul 11, 2025

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
Published on: March 24, 2018
Design of a trigonal halide superionic conductor by regulating cation order-disorder
Seungju Yu1, Joohyeon Noh1, Byunghoon Kim1
1Department of Materials Science and Engineering, Research Institute of Advanced Materials (RIAM), Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 151-742, Republic of Korea.
Lithium-metal-halide solid electrolytes offer high ionic conductivity and stability for advanced batteries. Optimizing metal ion (M) ratios in trigonal halides enhances lithium ion transport for better performance.
Area of Science:
- Solid-state electrochemistry
- Materials science for energy storage
Background:
- Lithium-metal-halides are emerging solid electrolytes.
- They offer superionic conductivity and electrochemical stability for high-voltage applications.
Purpose of the Study:
- To investigate the factors governing superionic conduction in trigonal halides (Li3MCl6).
- To establish design criteria for high-performance superionic trigonal halide electrolytes.
Main Methods:
- Analysis of in-plane lithium percolation paths.
- Evaluation of stacking interlayer distance.
- Correlation of these factors with metal (M) partial occupancy.
Main Results:
- Superionic conduction is governed by in-plane lithium paths and interlayer distance.
- Metal (M) partial occupancy inversely correlates these factors, acting as inhibitor and pillar.
- Optimizing M ratio in trigonal halides achieved high ionic conductivity.
Conclusions:
- A critical range or ordering of M is essential in trigonal halides.
- General design criteria for superionic trigonal halide electrolytes were provided.
- These electrolytes show promise for high-voltage battery applications.
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