DataVXACS Energy LettersPaper
journal article·2022-11-11

Atomic-Scale Cryo-TEM Studies of the Thermal Runaway Mechanism of Li1.3Al0.3Ti1.7P3O12 Solid Electrolyte

Jitong Yan, Dingding Zhu, Hongjun Ye, Haiming Sun, Xuedong Zhang, Jingming Yao, Jingzhao Chen, Lin Geng, Yong Su, Pan Zhang, Qiushi Dai, Zaifa Wang, Jing Wang, Jun Zhao, Zhaoyu Rong, Hui Li, Baiyu Guo, Satoshi Ichikawa, Dawei Gao, Liqiang Zhang, Jianyu Huang, Yongfu Tang

ACS Energy Letters· Volume 7· Issue 11
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Source abstract

Abstract

Understanding the thermal runaway mechanism of solid-state electrolytes is critical for the development of all-solid-state Li-metal batteries (ASLMBs). Herein we employ multiscale methods including in situ optical microscopy and cryo-transmission electron microscopy combining with density functional theory to reveal the failure mechanism of Li1.3Al0.3Ti1.7P3O12 (LATP). Li reacts with LATP to form an amorphous phase at elevated temperatures, which then crystallizes into Li3PO4 and LiP with additional Li3P and Li0.5TiO2 at even higher temperatures. The instability of the corner-sharing PO4 tetrahedra and TiO6 octahedra against Li at high temperature is the root cause of thermal runaway for LATP. Li diffusion into LATP causes the collapse of the PO4 tetrahedra and TiO6 octahedra, forming Li–O, Li–P–O, and Li–Ti–O species which release a large amount of heat, triggering thermal runaway of LATP. This work provides atomic-scale understanding of the thermal runaway of LATP, which offers an important clue to mitigate failure of ASLMBs.
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Research context

Energy storage

OpenAlex topics: Advancements in Battery Materials · Advanced Battery Materials and Technologies · Advanced Battery Technologies Research

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

Affiliations

Hebei Key Laboratory of Applied Chemistry, College of Environmental and Chemical Engineering, Yanshan University, Qinhuangdao 066004, People’s Republic of China

Clean Nano Energy Center, State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, People’s Republic of China

School of Materials Science and Engineering, Xiangtan University, Xiangtan, Hunan 411105, People’s Republic of China

Research Center for Ultra-High Voltage Electron Microscopy, Osaka University, Ibaraki, Osaka 567-0047, Japan

Funding

Natural Science Foundation of Hebei Province · Education Department of Henan Province · National Natural Science Foundation of China · High-Level Talents Research Program of the Yanshan University · Hebei Key Laboratory of Applied Chemistry after Operation Performance · Hebei One Hundred Talent Program

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