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Atomistic study on the origins of the anisotropic lithiation behaviors of the silicon anode using the reactive force field based molecular dynamics simulations

Li-Yi Pan, Chin-Lung Kuo

2023Acta Materialia15 citationsDOI

Topics & Concepts

ReaxFFMaterials scienceMolecular dynamicsKineticsAnodeSiliconChemical physicsComputational chemistryPhysical chemistryChemistryMetallurgyPhysicsInteratomic potentialElectrodeQuantum mechanicsAdvancements in Battery MaterialsSemiconductor materials and devicesSemiconductor materials and interfaces
Atomistic study on the origins of the anisotropic lithiation behaviors of the silicon anode using the reactive force field based molecular dynamics simulations | Litcius