Research Article

Effect of Doping on the Photoelectric Properties of Borophene

Table 2

Mulliken population analysis of atoms around the impurity atom.

SampleAtomspdTotalCharge (e)

BoropheneB
B0
0.69
0.63
2.31
2.38
0
0
2.99
3.01
0.01
−0.01
Al doped boropheneB
Al
0.91
−0.02
2.53
0.18
0
0
3.44
0.16
−0.44
2.84
Ga doped boropheneB
Ga
0.85
0.35
2.45
0.53
0
9.97
3.30
10.86
−0.29
2.44