Fig. 4: Solvation structures of QSSEs. | Nature Communications

Fig. 4: Solvation structures of QSSEs.

From: Li+-migration influencing factors and non-destructive life extension of quasi-solid-state polymer electrolytes

Fig. 4: Solvation structures of QSSEs.

a, b The molecular dynamics (MD) simulated solvation structure and coordination number of P(DOA) based QSSEs with 1.1 M LiPF6 and the liquid solvents of EC, DEC, or EC-DEC (1:1). c, d The solvation structure and coordination number of P(AEEO) based QSSEs with 1.1 M LiPF6 and the liquid solvents of EC, DEC, or EC-DEC (1:1). e The 7Li NMR spectra of 1.1 M LiPF6 in different solvents of EC, DEC, EP (Ethyl propionate), and DOE. f The density functional theory (DFT) calculated de-solvation energy (−∆E) of P(AEEO) and P(DOA) based QSSEs in a and c. g The proposed Li+-migration mode in polymer and solvent composed QSSEs.

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