Atomistic Modeling of the Electrode–Electrolyte Interface in Li-Ion Energy Storage Systems: Electrolyte Structuring

By R. Jorn, Revati Kumar, D. Abraham, Gregory A. Voth. 2013

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Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries (2018, background): “Jorn et al.(92) compared the electrolyte structure with or without an SEI covering the graphite edge surface and showed that Li-ions migrate closer to the SEI/ electrolyte interface under an applied electric field with increasing LiF content and SEI thickness, as shown in Fig.”
The state of understanding of the lithium-ion-battery graphite solid electrolyte interphase (SEI) and its relationship to formation cycling (2016, methodology): “performed ab initio molecular dynamics simulations with graphite in LiPF6/EC electrolytes, while considering graphite basal and edge planes [196].”