Skip to main content
. 2017 Jul 21;3(7):e1701246. doi: 10.1126/sciadv.1701246

Fig. 1. MD simulations of 1 M LiTFSI in PC solvent.

Fig. 1

(A) Basic waveforms for pulse current and constant current. (B) Snapshot of the simulation box from MD simulations. Purple, red, blue, gray, yellow, teal, and white denote lithium, oxygen, nitrogen, carbon, sulfur, fluorine, and hydrogen atoms, respectively. (C) Representative configuration of solvation structures of Li+ from MD simulations. One lithium ion is associated with four PC molecules (one Li+ coordinates with four oxygen atoms in carbonyl groups) and one TFSI− anion (one Li+ coordinates with two oxygen atoms in one TFSI− anion).