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

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submitted on 2024-09-23, 07:36 and posted on 2024-09-23, 14:41 authored by W Othman, M Fahed, S Hatim, A Sherazi, G Berdiyorov, N Tit

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.

Other Information

Published in: Journal of Physics: Conference Series
License: http://creativecommons.org/licenses/by/3.0/
See article on publisher's website: https://dx.doi.org/10.1088/1742-6596/869/1/012041

Conference information: Frontiers in Theoretical and Applied Physics/UAE 2017 (FTAPS 2017) 22–25 February 2017, American University of Sharjah (AUS), UAE

Funding

UAEU-UPAR (31S169).

UAEU-Research-Center (31R068).

History

Language

  • English

Publisher

IOP Publishing

Publication Year

  • 2017

License statement

This Item is licensed under the Creative Commons Attribution 3.0 Unported License.

Institution affiliated with

  • Hamad Bin Khalifa University
  • Qatar Environment and Energy Research Institute - HBKU