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  1. Two-dimensional porous graphitic carbon nitride C6N7 monolayer: first-principles calculations
Two-dimensional porous graphitic carbon nitride C6N7 monolayer: first-principles calculations
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Two-dimensional porous graphitic carbon nitride C6N7 monolayer: first-principles calculations

Bafekry, A.

  1. DOI:10.1063/5.0060496
  2. Main Entry: Bafekry, A.
  3. Title:Two-dimensional porous graphitic carbon nitride C6N7 monolayer: first-principles calculations.
  4. Publisher:American Institute of Physics Inc, 2021.
  5. Abstract:The fabrication of the C6N7 monolayer [Zhao et al., Sci. Bull. 66, 1764 (2021)] motivated us to discover the optical, structural, mechanical, and electronic properties of the C6N7 monolayer by employing the density functional theory (DFT) method. We find that the shear modulus and Young's modulus of the C6N7 monolayer are smaller than the relevant values of graphene. However, Poisson's ratio is more significant than that of graphene. Applying the PBE (HSE06) functional bandgap of the C6N7 monolayer is 1.2 (1.97) eV, and the electronic dispersion is almost isotropic around the Γ point. C6N7 is more active in the ultraviolet region as compared to the visible light region. This study provides outstanding results, highlighting the bright viewpoints for the applications of the C6N7 monolayer in electronic and optical systems. © 2021 Author(s)
  6. Notes:Sharif Repository
  7. Subject:Calculations.
  8. Subject:Carbon nitride.
  9. Subject:Density functional theory.
  10. Subject:Elastic moduli.
  11. Subject:Electronic properties.
  12. Subject:Graphene.
  13. Subject:Porous materials.
  14. Subject:Density functional theory methods.
  15. Subject:Electronic dispersions.
  16. Subject:First principle calculations.
  17. Subject:Graphitic carbon nitrides.
  18. Subject:Isotropics.
  19. Subject:Mechanical and electronic properties.
  20. Subject:Porous graphitic carbon.
  21. Subject:Two-dimensional.
  22. Subject:Ultraviolet region.
  23. Subject:Young modulus.
  24. Subject:Monolayers.
  25. Added Entry:Faraji, M.
  26. Added Entry:Fadlallah, M. M.
  27. Added Entry:Abdolhosseini Sarsari, I.
  28. Added Entry:Jappor, H. R.
  29. Added Entry:Fazeli, S.
  30. Added Entry:Ghergherehchi, M.
  31. Added Entry:Sharif University of Technology.
  32. Source: Applied Physics Letters ; Volume 119, Issue 14 , 2021 ; 00036951 (ISSN)
  33. Web Site:https://aip.scitation.org/doi/abs/10.1063/5.0060496

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