Theoretical insights of the electronic structures, conductivity, and aromaticiy of Graphyne and Si-doped Graphynes
1. Theoretical insights of the electronic structures, conductivity, and aromaticiy of Graphyne and Si-doped Graphynes

Reza Ghiasi; Faegheh Aghazadeh Kozeh Kanani

Volume 1, Issue 4 , Autumn 2018, , Pages 234-243

http://dx.doi.org/10.26655/ajnanomat.2018.9.4

Abstract
  In the present research, the dipole moment, electronic structure, frontier orbitals energy, and aromaticity in the graphyne and Si-doped graphynes were studied with M062X quantum chemical ...  Read More