Electronic properties of hydrogenated porous Graphene based nanoribbons: A density functional theory study

International Journal of Nano Dimension

مقاله 2، دوره 11، شماره 2، تیر 2020، صفحه 112-119   

نوع مقاله: Reasearch Paper

نویسندگان

Roya Majidi^{* 1}؛ Ali Reza Karami²؛ Khatereh Rahmani³؛ Amir Mohammad Khairogli⁴

¹Department of Physics, Shahid Rajaee Teacher Training University, Lavizan, Tehran, Iran.

²Department of Chemistry, Shahid Rajaee Teacher Training University, Lavizan, Tehran, Iran.

³Department of Chemistry, Kabul Polytechnic University, Kabul, Afghanishtan.

⁴Departmen of Chemistry, Faryab University, Faryab, Afghanishtan.

چکیده

The structural and electronic properties of the hydrogenated porous graphene nanoribbons were studied by using density functional theory calculations. The results show that the hydrogenated porous graphene nanoribbons are energetically stable. The effects of ribbon type and ribbon width on the electronic properties of these nanoribbons were investigated. It was found that both armchair and zigzag hydrogenated porous graphene nanoribbons are semiconductors. Their energy band gaps depend on the ribbon width and topological shape of carbon atoms at the edges of the nanoribbons. The band gap of the nanoribbons decreases monotonically with increasing the ribbon width. The semiconducting properties of the hydrogenated porous graphene nanoribbons suggest these ribbons as proper materials for use in future nanoelectronic devices.

کلیدواژه‌ها

Density Functional Theory (DFT)؛ Electronic Properties؛ Energy Band Gap؛ Hydrogenated Porous Graphene؛ Nanoribboni

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