Adsorption of CO2 on Fe-doped graphene nano-ribbons: Investigation of transport properties

W. Othman, M. Fahed, S. Hatim, A. Sherazi, Golibjon Berdiyorov, N. Tit

Research output: Contribution to journalConference article

Abstract

Density functional theory combined with the non-equilibrium Green's function formalism is used to study the conductance response of Fe-doped graphene nano-ribbons (GNRs) to CO2 gas adsorption. A single Fe atom is either adsorbed on GNR's surface (aFe-graphene) or it substitutes the carbon atom (sFe-graphene). Metal atom doping reduces the electronic transmission of pristine graphene due to the localization of electronic states near the impurity site. Moreover, the aFe-graphene is found to be less sensitive to the CO2 molecule attachment as compared to the sFe-graphene system. These behaviours are not only consolidated but rather confirmed by calculating the IV characteristics from which both surface resistance and its sensitivity to the gas are estimated. Since the change in the conductivity is one of the main outputs of sensors, our findings will be useful in developing efficient graphene-based solid-state gas sensors.

Original languageEnglish
Article number012041
JournalJournal of Physics: Conference Series
Volume869
Issue number1
DOIs
Publication statusPublished - 11 Jul 2017

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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