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. 2024 Nov 19;146(48):33169–33178. doi: 10.1021/jacs.4c12616

Figure 2.

Figure 2

(a) MD snapshots showing the structures of two polyIL-in-salt systems at two salt concentrations and the coordination environment of a selected polymer segment at 1:2 and 1:8 systems. The simulation box snapshots show the distribution of Li ions (purple balls) and PDADMA chains (green sticks). The polycation chain segment snapshots show the surrounded cocoordinated anions and Li. FSI is in yellow bold sticks; FTFSI is in blue sticks. (b) Schematic diagram showing the three distinct anion coordination states with increasing salt concentrations.