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cond-mat.mtrl-sci2025
Revealing the Staging Structural Evolution and Li (De)Intercalation Kinetics in Graphite Anodes via Machine Learning Potential
Liqi Wang, Xuhe Gong, Zicun Li +2
Revealing the dynamic structural evolution and lithium transport properties during the charge/discharge processes is crucial for optimizing graphite anodes in lithium-ion batteries…
physics.chem-ph2025
Gas-solid Reaction Dynamics on LiPSCl Surfaces: A Case Study of the Influence of CO and CO/O Atmospheres Using AIMD and MLFF Simulations
Zicun Li, Xinguo Ren, Jinbin Li +2
In recent years, rapid progress has been made in solid-state lithium batteries. Among various technologies, coating the surface of electrodes or electrolytes has proven to be an ef…