Electro-optical properties of monolayer and bilayer boron-doped C3 N: Tunable electronic structure via strain engineering and electric field

In this work, the structural, electronic and optical properties of monolayer and bilayer of boron doped C3N are investigated by means of density functional theory-based first-principles calculations. Our results show that with increasing the B dopant concentration from 3.1% to 12.5% in the hexagonal...

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Veröffentlicht in:	Carbon (New York) 2020-10, Vol.168, p.220
Hauptverfasser:	Bafekry, A, Yagmurcukardes, M, Shahrokhi, M, Ghergherehchi, M
Format:	Artikel
Sprache:	eng
Schlagworte:	Bilayers Boron Carbon Density functional theory Electric fields Electronic structure Energy gap Field strength First principles Mechanical properties Monolayers Optical properties Physical properties Semiconductor doping Two dimensional materials
Online-Zugang:	Volltext
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