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. 2022 Oct 20;7(43):38543–38549. doi: 10.1021/acsomega.2c03898

Table 1. Binding Energies (eV) of LiPSs and S8 over B2C4P2, B3C2P3, Graphene, and Blue Phosphorenea.

  B2C4P2 B3C2P3 graphene20 blue phosphorene36
Li2S –2.22 (2.13) –2.43 (1.89) –0.50 –2.50
Li2S2 –1.31 (2.53) –1.71 (2.31) –0.50 –1.50
Li2S4 –0.76 (3.04) –0.83 (2.90) –0.60 –1.10
Li2S6 –0.93 (2.78) –0.93 (2.81) –0.70 –0.90
Li2S8 –1.03 (2.60) –1.09 (2.64) –0.90 –1.00
S8 –0.75 (3.2) –0.74 (3.2) –0.70 –0.50
a

The separation distances (Å) of LiPSs and S8 over B2C4P2 and B3C2P3 are given in parenthesis.