Fig. 2: Molecular dynamics studies of the Zn2+-solvation structure. | NPG Asia Materials

Fig. 2: Molecular dynamics studies of the Zn2+-solvation structure.

From: Pursuit of reversible Zn electrochemistry: a time-honored challenge towards low-cost and green energy storage

Fig. 2

a Molecular dynamics simulation for HCZE containing 1 m Zn(TFSI)2 and 20 m LiTFSI at 363 K. b Illustration of Zn2+-solvation structures in the electrolytes with 1 m Zn(TFSI)2 and varied concentrations of LiTFSI (5 m, 10 m, and 20 m). c Zn2+-O(TFSI) and d Zn2+-O(water) coordination numbers for HCZE containing 1 m Zn(TFSI)2 and three different concentrations of LiTFSI (5 m, 10 m and 20 m). e The small-angle neutron scattering (SANS) curve (green dots) and the simulated results (black line) for HCZE containing 1 m Zn(TFSI)2 and 20 m LiTFSI electrolyte in D2O (ref. 11).

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