Table 1 Adsorption energies at subT sites Ead, spin polarization energies (per V atom) of V atoms ∆E, the bond lengths between V atom and its adjacent Cu and C atoms dV-Cu and dV-C, the vertical distance between the lower C layer and the uppermost Cu layer d(Gr-Cu)⊥, and atomic magnetic moments of V and C atoms MV and MC. For the subscript of Cu and C atoms, please refer to Fig. 2
From: Electronic Properties of Vanadium Atoms Adsorption on Clean and Graphene-Covered Cu(111) Surface
V/Cu(111) coverage (ML) | E ad (eV) | ∆E (meV) | d V-Cu2 (Ǻ) | dV-Cu3 (Ǻ) | d V-Cu5 (Ǻ) | M V (μB) | |
1/9 | 2.17 | 110 | 2.27 | 2.51 | 2.40 | 1.34 | |
1 | 1.61 | 0 | 2.37 | 2.63 | – | 0.00 | |
V/Cu(111) coverage (ML) | E ad (eV) | ∆E (meV) | d V-Cu2 (Ǻ) | d V-Cu3 (Ǻ) | d (Gr-Cu)┴ (Ǻ) | M V (μB) | M C (μB) |
1/9 | 1.91 | 390 | 2.31 | 2.31 | 3.04 | 2.93 | 0.16 |
1 | 1.16 | 0 | 2.12 | 2.46 | 2.83 | 0.00 | 0.00 |