Probing pressure-Induced Structural and Conductivity Changes in Li6.5La3Nb0.5Zr1.5O12 (c-LLZO) Garnet Electrolytes

The garnet-type solid electrolyte Li6.5La3Nb0.5Zr1.5O12 (c-LLZO) is widely regarded as one of the most promising candidate SICs due to its high ionic conductivity (~10^-3 S/cm) and low electronic conductivity (σe < 10-8 S/cm) at room temperature, good mechanical strength and electrochemical stability. While temperature effects on c-LLZO’s ionic transport have been extensively studied, the role of pressure as a thermodynamic parameter has been explored less. This study aims to elucidate the effect of pressure on Li-ion transport mechanisms using high-pressure neutron diffraction. In combination with existing studies of electrochemical impedance spectroscopy (EIS) and Raman spectroscopy, our investigation will probe correlations between pressure-induced structural changes and ionic conductivity, providing insights crucial to optimizing c-LLZO-based solid electrolytes for enhanced battery performance.