Theoretical Study of Electronic and Electrical Properties of Pure and Doped Graphene Sheets

Hamid I. Abbood, Hakiema S. Jabour

Graphene, Electrical Conductivity, Electronic Softness, I-V Curve.

The studied graphene sheets were design at Gaussian View 5.0.8 program and initially relaxed at Gaussian 09 program. The last relaxation of these structures was done using the SIESTA-trunk-462 program. All calculations are carried out using GOLLUM program. The results showed the presence of fluorine atoms in the sheet has not an effect on the geometrical parameters of carbon-carbon bonds. Pure graphene sheet has zero band gap and large electronic softness with higher electrical and thermal conductivities due to the multi channels of electron transport it has in comparison with the two doped graphene sheets, the presence of fluorine atoms in the rings leads to rise the energy gap and decrease the open channels of electron transfer, the electrical conductivity is linearly proportionality decreasing with the number of added fluorine atoms. The I-V characteristics of the studied graphene sheets was analyzed and observed resistance behavior for pure graphene sheet.

10.22161/ijaers.4.7.19