Fig. 6: Theoretical calculation for the voltage-elevating of zinc batteries via solvation regulation. | Nature Communications

Fig. 6: Theoretical calculation for the voltage-elevating of zinc batteries via solvation regulation.

From: Solid-state eutectic electrolyte via solvation regulation for voltage-elevated and deep-reversible Zn batteries

Fig. 6

Snapshots of different eutectic electrolyte systems obtained by MD simulation at 298 K: a SE, b NE, and c SNE. The Zn2+ are presented by ball and stick model, while the wireframes stand for SN (blue) and NMA (orange), respectively. d Percentage of Zn2+ cations, which coordinate with different number of TFSI- anions in SE, NE, and SNE. e Percentage of Zn2+ cations, which coordinate with different number of SN molecules in SE and SNE. f Percentage of Zn2+ cations, which coordinate with different number of NMA molecules NE and SNE. g, h Diagram of the energy barriers (kcal/mol) during the step-by-step desolvation process of (SN)2Zn(TFSI)2 and (NMA)2Zn(TFSI)2.

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