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. Author manuscript; available in PMC: 2021 Mar 8.
Published in final edited form as: Chem Mater. 2020 Feb 7;32(5):2070–2077. doi: 10.1021/acs.chemmater.9b05164

Table 1.

Calculated Ionic Association Energy of Various Lithium Salts and Polysulfide species

Species ΔGion association (kJ mol−1 Li+)
LiTFSI −58.11
LiTF −73.94
LiTFA −92.89
Li2S4 −116.18
Li2S6 −113.32
Li2S8 −110.53