Revealing the Reductive Decomposition at the Interface of Li3YCl6-Lithium Metal
Yusuke Morino1, Noriyuki Aoki1, Mitsunori Nakamoto1
1Murata Manufacturing Co., Ltd., 1-10-1 Higashikotari, Nagaokakyo-shi, Kyoto 617-8555, Japan.
ACS Applied Materials & Interfaces
|July 31, 2025
Summary
Lithium halide solid electrolytes like Li3YCl6 decompose under reductive conditions, forming metallic yttrium (Y0) nanoclusters. This yttrium bridges electrodes, causing electronic conduction and hindering battery performance.
Area of Science:
- Materials Science
- Electrochemistry
- Solid-state Chemistry
Background:
- Halide solid electrolytes offer high ionic conductivity and formability for all-solid-state batteries.
- Limited reductive stability of halide electrolytes, including Li3YCl6, impedes practical application, especially with lithium metal anodes.
Purpose of the Study:
- To investigate the interfacial behavior and reductive decomposition mechanism of Li3YCl6 under conditions relevant to lithium metal anodes.
- To understand how Li3YCl6 degrades at the interface with lithium metal.
Main Methods:
- Fabrication of a symmetric Li metal | Li3YCl6 | Li metal cell.
- Electrochemical evaluation using electrochemical impedance spectroscopy.
- Spectroscopic analysis (X-ray absorption spectroscopy) and computational simulations.
Main Results:
- Electrochemical impedance spectroscopy showed a decrease in impedance over time, indicating increasing electronic conduction.
- X-ray absorption spectroscopy confirmed the formation of metallic yttrium (Y0) from the decomposition of Li3YCl6.
- Computational simulations elucidated the decomposition pathway, revealing the formation of Y0 nanoclusters that bridge the electrodes.
Conclusions:
- Reductive decomposition of Li3YCl6 results in the formation of metallic yttrium, which leads to electronic conductivity and failure.
- Understanding this mechanism is crucial for designing more stable halide solid electrolytes for next-generation batteries.
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