Research Article
Effect of Co-Doping on the Photoelectric Properties of the Novel Two-Dimensional Material Borophene
Table 2
Mulliken population analysis of B atoms around the co-doped atoms.
| Sample | Atom | s | | d | Total | Charge/e |
| Borophene | B | 0.63 | 2.38 | 0 | 3.01 | −0.01 | B | 0.69 | 2.31 | 0 | 2.99 | 0.01 |
| Al-Ga co-doped | Al | 0.30 | 0.55 | 0 | 0.85 | 2.15 | B1 | 0.94 | 2.40 | 0 | 3.35 | −0.35 | B2 | 0.83 | 2.69 | 0 | 3.52 | −0.52 | B3 | 0.87 | 2.44 | 0 | 3.30 | −0.30 | B4 | 0.87 | 2.46 | 0 | 3.33 | −0.33 | B5 | 0.83 | 2.70 | 0 | 3.53 | −0.53 | B6 | 0.94 | 2.40 | 0 | 3.34 | −0.34 | Ga | 0.55 | 0.88 | 9.98 | 11.41 | 1.59 | B1 | 0.94 | 2.40 | 0 | 3.35 | −0.35 | B6 | 0.94 | 2.40 | 0 | 3.34 | −0.34 | B7 | 0.78 | 2.60 | 0 | 3.38 | −0.38 | B8 | 0.82 | 2.36 | 0 | 3.18 | −0.18 | B9 | 0.82 | 2.39 | 0 | 3.21 | −0.21 | B10 | 0.78 | 2.60 | 0 | 3.38 | −0.38 |
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