Table 4 DFT-calculated binding energies of an Au single atom on Au (100), Au (110), and Au (111), respectively. Specific adsorption sites and configurations refer to Additional file 1: Figure S3
Surface | Top | Bridge | Hollow |
---|---|---|---|
100 | −1.73 | −2.36 | −3.04 |
111 | −1.84 | – | −2.54(3H) −2.58(3F) |
110 | −1.64 | −2.17(SB) −2.55(LB) | −2.96 |