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