Table 1 The calculated cohesive energies, formation energies, and magnetic moments for BC1@gh-C3N4 and BC2@gh-C3N4
From: Metal-Free Half-Metallicity in B-Doped gh-C3N4 Systems
Ecoh (eV per atom) | E f (eV per atom) | M (μ B per unit) | |
|---|---|---|---|
BC1@gh-C3N4 | − 6.107 | 0.222 | 1.0 |
BC2@gh-C3N4 | − 6.097 | 0.232 | 1.0 |