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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
B)
M C
B)
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