The Effects of Boron-Doping on the Electronic Properties of Blue Phosphorene ()
ABSTRACT
In this
paper, the effects of different boron (nitrogen)-doping on the electronic
properties of blue phosphorene have been investigated by the first- principles
calculations. We have taken eight doping configurations into account, the
calculated results show that the bond length of P-B is decreasing with the
doping concentration increasing. For the four boron atoms doping configuration,
the geometric structure appears the distinct distortion. The band gap is
decreasing with the doping concentration increasing, and it appears the
transition from indirect band gap to direct band gap for boron doping
configurations. It is hoped that the calculated results may be useful for designing
electronic devices based on blue phosphorene.
Share and Cite:
Wu, Y. , Ma, K. , Wang, Z. and Dai, X. (2021) The Effects of Boron-Doping on the Electronic Properties of Blue Phosphorene.
Graphene,
10, 41-47. doi:
10.4236/graphene.2021.103003.
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