activity
19992017
most citedLithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles and Classical Reactive Molecular Dynamics

210 citations · 489 across the 7 of their papers we have counts for

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Showing 2015Show all

2 papers · 1 filter

cond-mat.mtrl-sci2015★ 89 cited

The electron elevator: excitations across the band gap via a dynamical gap state?

A. Lim, W. M. C. Foulkes, A. P. Horsfild +4

We have used time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to th…

cond-mat.mtrl-sci2015★ 210 cited

Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles and Classical Reactive Molecular Dynamics

Mitchell T. Ong, Osvalds Verners, Erik W. Draeger +3

Lithium-ion battery performance is strongly influenced by the ionic conductivity of the electrolyte, which depends on the speed at which Li ions migrate across the cell and relates…