Properties of BC$_6$N monolayer derived by first-principle computation: Influences of interactions between dopant atoms

@inproceedings{Abdullah2021PropertiesOB,
  title={Properties of BC\$\_6\$N monolayer derived by first-principle computation: Influences of interactions between dopant atoms},
  author={Nzar Rauf Abdullah and Botan Jawdat Abdullah and Chi‐Shung Tang and Vidar Gudmundsson},
  year={2021}
}
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9 Citations
Background Citations
2
Methods Citations
2

9 Citations

DFT study of tunable electronic, magnetic, thermal, and optical properties of a Ga2Si6 monolayer
Enhanced electronic and optical responses of nitrogen- or boron-doped BeO monolayer: First principle computation
Modulation of electronic and thermal proprieties of TaMoS2 by controlling the repulsive interaction between Ta dopant atoms
Electronic and optical properties of metallic nitride: A comparative study between the MN (M = Al, Ga, In, Tl) monolayers
Study of the buckling effects on the electrical and optical properties of the group III-Nitride monolayers
Size effect of band gap in semiconductor nanocrystals and nanostructures from density functional theory within HSE06
  • B. Abdullah
  • Materials Science, Physics
    Materials Science in Semiconductor Processing
  • 2022
Electric field controlled CO2 capture and activation on BC6N monolayers: A first-principles study
Strain-tuneable photocatalytic ability of BC6N monolayer: A first principle study
High thermoelectric and optical conductivity driven by the interaction of Boron and Nitrogen dopant atoms with a 2D monolayer Beryllium Oxide

References

SHOWING 1-10 OF 46 REFERENCES
Ab initio study of the interactions between boron and nitrogen dopants in graphene
We present a first-principles computational study of the interactions between the boron (B) and nitrogen (N) dopant atoms in graphene. Our calculations are carried out using density functional theory…
Electronic, thermal, and optical properties of graphene like SiC structures: Significant effects of Si atom configurations
Modeling electronic, mechanical, optical and thermal properties of graphene-like BC6N materials: Role of prominent BN-bonds
Properties of BSi6N monolayers derived by first-principle computation
Interlayer interaction controlling the properties of AB- and AA-stacked bilayer graphene-like BC14n and si2c14
DFT study of optical properties of pure and doped graphene
Optical properties of a hexagonal C/BN framework with sp2 and sp3 hybridized bonds
TLDR
The reflectivity and refractive index spectra show that the sp2-hybridized C atoms are more sensitive to the light from infrared to visible region than B-N pairs while the C atoms and B- N pairs have a similar sensitivity to high frequencies.
Interpolation of Atomically Thin Hexagonal Boron Nitride and Graphene: Electronic Structure and Thermodynamic Stability in Terms of All-Carbon Conjugated Paths and Aromatic Hexagons
Two-dimensional hexagonal composite materials (BN)n(C2)m (n, m = 1, 2, ...), which all are isoelectronic with graphene and hexagonal boron nitride (h-BN), have been studied by density functional…
Silicon on a graphene nanosheet with triangle- and dot-shape: Electronic structure, specific heat, and thermal conductivity from first-principle calculations
Conversion of the stacking orientation of bilayer graphene due to \break the interaction of BN-dopants
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