DataVXAdvanced Functional MaterialsPaper
journal article·2026-04

Dynamic Li‐S Coordination Boosted Superionic Conduction in Cubic LiBS 2 Solid Electrolyte

Shaoxiong Shi, Liping Wang, Sifan Ling, Bei Deng, Baiqing Yu, Chao Huang, Rui‐Qin Zhang, Weibin Wu, Jinlong Zhu, Songbai Han, Pei Wang, Shukui Li, Juncao Bian

Advanced Functional Materials· Volume 36· Issue 33
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Source abstract

Abstract

ABSTRACT Li thioborate solid electrolytes (SEs) have recently emerged as a typical SE system with theoretical room temperature (RT) ionic conductivity of 80 mS cm −1 . However, experimental explorations on this SE system are still insufficient, leading to a large gap between the experimental performance and the theoretical prediction. In this work, a high‐pressure high‐temperature method is developed for the first time to prepare the new Li thioborate of LiBS 2 with cubic and tetragonal phases. The cubic LiBS 2 SE exhibits the highest RT ionic conductivity of 0.43 mS cm −1 . The diffusion of the Li ions is accompanied with collective local Li‐S coordination and de‐coordination, termed as “Li‐S dynamic coordination”, which are beneficial for lowering the energy barrier and boosting the superionic conduction. The findings in this work can be applied as theoretical guidance for the design of novel sulfide based SE systems.
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Research context

Energy storage

OpenAlex topics: Advanced Battery Materials and Technologies · Thermal Expansion and Ionic Conductivity · Inorganic Chemistry and Materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Shenzhen Longgang District Key Laboratory of Power Battery Materials and Devices & Guangdong Provincial Key Laboratory of Renewable Energy Storage Materials Faculty of Materials Science Shenzhen MSU‐BIT University Shenzhen China

Institute of Major Scientific Facilities for New Materials & Academy for Advanced Interdisciplinary Studies & Department of Physics Southern University of Science and Technology (SUSTech) Shenzhen China

Laboratory for Advanced Materials and Batteries, Institute of Advanced Interdisciplinary Technology Shenzhen MSU‐BIT University Shenzhen China

Department of Physics City University of Hong Kong Hong Kong China

Advanced Energy Storage Technology Research Center Shenzhen Polytechnic University Shenzhen China

Department of Physics College of Science Shantou University Shantou Guangdong China

State Key Laboratory of Agricultural Equipment Technology College of Engineering South China Agricultural University Guangzhou China

Key Laboratory of Materials Physics Institute of Solid State Physics, HFIPS Chinese Academy of Sciences Hefei China

Funding

National Natural Science Foundation of China

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