Investigations of diffusion and NMR properties in LLAZO through a Multiscale Simulations approach linked to experimental data

Key Points

• Diffusion properties in LLAZO show significant correlation with experimental data.
• Analysis reveals the critical role of multiscale simulations in understanding molecular properties.
• Approach involves linking diffusion studies with NMR properties through a computational framework.
• Findings highlight the importance of theoretical models for experimental validation in materials science.