2 papers
cond-mat.mtrl-sci2025
Observing Nucleation and Crystallization of Rocksalt LiF from Molten State through Molecular Dynamics Simulations with Refined Machine-Learned Force Field
Boyuan Xu, Liyi Bai, Shenzhen Xu +1
Lithium fluoride (LiF) is a critical component for stabilizing lithium metal anode and high-voltage cathodes towards the next-generation high-energy-density lithium batteries. Rece…
cond-mat.stat-mech2025
Theory of Cation Solvation in the Helmholtz Layer of Li-ion Battery Electrolytes
Zachary A. H. Goodwin, Daniel M. Markiewitz, Qisheng Wu +2
The solvation environments of Li in conventional non-aqueous battery electrolytes, such as LiPF in mixtures of ethylene carbaronate (EC) and ethyl methyl carbonate (EMC), a…