Table 1 Structure parameters
Configurations | E d (eV) | Г (eV) | U (eV) | Magnetic moment (μ B) | T K (K) |
|---|---|---|---|---|---|
Isolated TBrPP-Co | −0.527 | 0 | 5.88 | −1.05 | 0 |
TBrPP-Co/Au(111) (top site) | −0.51 | 0.363 | 5.71 | −1.045 | 150 |
TBrPP-Co/Au(111) (bridge site) | −0.529 | 0.361 | 5.81 | −1.050 | 128 |
TBrPP-Co/Au(111) (hollow site) | −0.54 | 0.357 | 5.72 | −1.044 | 112 |
TBrPP-Co/AGNR/Au(111) | −0.46 | 0.330 | 5.78 | −1.049 | 142 |
TBrPP-Co located at 7.5 Å above Au(111) | −0.562 | 0 | 5.86 | −1.048 | 0 |
