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. 2022 Dec 7;7(50):46183–46202. doi: 10.1021/acsomega.2c04319

Table 11. Binding Energy, ΔGgred, ΔGsol, and Ered/(M/M+) for the Studied Surfaces.

System B.E. (eV) ΔGgred ΔGsolred E0 (V) Ered/(M/M+) BSSE Ecorrected
Al12N12–K –0.935 0.172 0.132 3.588 –6.513 0.0012 0.9749
Al12N12–Li –1.210 0.182 0.137 3.716 –6.791 0.0019 0.9989
Al12N12–Na –0.749 0.182 0.136 3.696 –6.414 0.0020 0.9398
Al12P12–K –1.485 0.189 0.169 4.610 –7.535 0.0011 1.1284
Al12P12–Li –1.483 0.213 0.148 4.026 –7.071 0.0021 1.1528
Al12P2–Na –1.311 0.219 0.164 4.467 –7.184 0.0023 0.9830