Table 3 Calculated total magnetic moment (Mtotal) of O2-(TM-phosphorene) systems. The magnetic moments of impurity atoms (MTM) and an oxygen molecule (\( {M}_{{\mathrm{O}}^2} \)) are also shown for comparison
From: Adsorption of Transition Metals on Black Phosphorene: a First-Principles Study
Dopant | Mtotal (μB) | M TM | \( {M}_{{\mathrm{O}}^2} \) |
|---|---|---|---|
Fe | 2.00 | 1.43 | 0.51 |
Co | 1.00 | 0.47 | 0.44 |
Ni | 2.00 | 0.49 | 1.33 |
Cu | 1.00 | 0.02 | 1.09 |
Rh | 1.00 | 0.18 | 0.76 |
Ag | 1.14 | − 0.01 | 1.33 |
Ir | 1.00 | 0.27 | 0.49 |
Au | 1.00 | 0.00 | 1.02 |