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Formation energies Ef of the copper-related defect complexes and the calculated CLS for N1 s core electrons in monolayer and bilayer graphene.
| Defects | EfLDA (eV) | N ECLS1s (eV) | ||
|---|---|---|---|---|
| Mono. | Bi. | Mono. | Bi. | |
| Subst. Cu | 9.44 | 7.85 | — | — |
| Subst. N + Cu adsorbed | 3.87 | 4.92 | 29.6 | 28.2 |
| Trim. pyri. + Cu into SV | 3.43 | 1.73 | 27.7 | 25.6 |
| Trim. pyri. + Cu above SV | 2.66 | 2.57 | 27.5 | 25.9 |
These CLS results were obtained considering the N1s core eigenvalues.
