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Screening of Coatings for an All-Solid-State Battery Using In Situ Transmission Electron Microscopy

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Simultaneous Optimization of Internal Electric Fields and High-Valence Cations in Cathode Coating Microstructures.

Kai Yang^1,2, Yiming Sun³, Jing Wang^1,2

¹Jiangsu Key Laboratory of Electrochemical Energy Storage Technologies, College of Materials Science and Technology, Nanjing University of Aeronautics and Astronautics, no. 29 Yudao Street, Nanjing 210016, China.

|January 2, 2026

Summary

Cathode coatings in sulfide all-solid-state batteries are key for safety and performance. Optimizing coating microstructure, like using LiNbO3, enhances ion transport and stability by tuning internal electric fields.

Keywords:

all-solid-state lithium battery density functional theory interface stability internal electric field sulfide electrolyte

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Area of Science:

Materials Science
Electrochemistry
Solid-State Batteries

Background:

Sulfide all-solid-state batteries offer high safety and performance for next-generation power sources.
Cathode coatings are crucial for improving battery performance, but their structural influence on interfacial properties is not fully understood.

Purpose of the Study:

To investigate the impact of coating material's intrinsic structure on interfacial properties in sulfide all-solid-state batteries.
To explore the synergistic interaction between high-valence cations and the internal electric field induced by coating microstructure.

Main Methods:

Profiling interfacial behavior between LiNbO3 (LNO) and Li3NbO4 (L3NO4) coatings on LiCoO2 (LCO) cathodes.
Systematic investigation of coating microstructure effects on battery performance.

Main Results:

LiNbO3 coatings create a tuned internal electric field, enhancing Li+ transport and suppressing side reactions for superior cycling stability.
Li3NbO4 coatings result in inefficient electric fields and higher charge transfer barriers, leading to interface degradation and limited performance.

Conclusions:

Optimizing cation properties and internal electric fields at the microstructural level is critical for designing high-performance solid-state battery interfaces.
The choice of coating material significantly impacts interfacial stability and overall battery performance.