In recent years, all-solid-state lithium-ion batteries have attracted much attention due to their high safety and high energy density. As a solid-state electrolyte material with high ionic conductivity and stability, Li7La3Zr2O12 (LLZO) is particularly remarkable. However, there is a significant difference between the theoretically predicted activation energy (about 1.2 eV) and the experimentally measured value (about 0.45 eV) for lithium-ion migration in the tetragonal phase LLZO. This contradiction limits the in-depth understanding and optimization of the material's performance.
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