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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

Figure 2.

Figure 2.

Computational evaluation of polysulfide clustering energetics, with the structures of various modelled (Li2S4)n clusters having size n = 1, 2, and 4. The accompanying formation energy of each cluster is shown on a kJ mol−1 Li+ basis.