Bader charge analysis for metal supported h-BN. Negative values indicate that the h-BN sheet gains electrons from the metal supports.
Electrons per BN pair | Without vac. | B-vac. | N-vac. |
---|---|---|---|
Ag | 0.00 | −0.09 | 0.03 |
Pd | 0.00 | −0.05 | 0.02 |
Pt | 0.00 | −0.03 | 0.04 |
Cu | 0.00 | −0.14 | 0.03 |