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Improved Performance of Batteries Through Optimized Intercalation, Increased Lithium Mobility and Reduced Plating
Improved Performance of Batteries Through Optimized Intercalation, Increased Lithium Mobility and Reduced Plating
May 10, 2022
Achieving fast charging in lithium-ion batteries requires optimizing how lithium ions intercalate and migrate within electrode materials. Efficient lithium mobility and high-rate capability are key to enhancing performance while reducing the risk of lithium plating, a side reaction that can degrade battery longevity.
Using QuantistryLab, we simulated lithium intercalation in the graphite anode and migration pathways in the lithium manganese phosphate (LiMnPO₄) cathode, identifying the most efficient diffusion routes and surface characteristics that facilitate lithium insertion. Our simulations revealed that lithium intercalates more efficiently via graphite edge planes rather than basal planes and migrates preferentially along specific crystal directions in LiMnPO₄.
By leveraging QuantistryLab’s quantum chemical simulations, users can analyze lithium mobility, explore ways to reduce diffusion barriers, and design & optimize materials for next-generation battery R&D.
How can QuantistryLab's property prediction drive battery R&D? Read more to find out.
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