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Analytical modelling and simulation of gas adsorption effects on graphene nanoribbon electrical properties

Pourasl, Ali H. and Ahmadi, Mohammad Taghi and Ismail, Razali and Gharaei, Niayesh (2018) Analytical modelling and simulation of gas adsorption effects on graphene nanoribbon electrical properties. Molecular Simulation, 44 (7). pp. 551-557. ISSN 0892-7022

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Official URL: http://dx.doi.org/10.1080/08927022.2017.1408956


Inspired by the realisation of the ability of graphene nanoribbon (GNR) based sensors to detect individual gas molecules, analytical approach based on the nearest neighbour tight-binding approximation is proposed to study the effect of gas adsorption on GNR electrical properties. Numerical calculations indicate that the electrical properties of the GNR are completely dependent on the adsorbed gas. Conductance as one of the most important electrical parameters as a sensing parameter is considered and analytically modelled. Additionally, gas adsorption effect on the conductance variation in the form of current-voltage characteristics is investigated which points out that gas adsorption dramatically influences electrical conductance of the GNR. Furthermore, to support the proposed analytical models, simulation study is carried out to investigate adsorption of O2 and NH3 gas molecules on the GNR surface. While, the charge transfer phenomenon that occurred as a result of molecular doping of the GNR is explored and the roll of band structure changes by adsorbents and their effects on the conductance and I-V characteristics of the GNRFET sensor is analysed. The comparison study with adopted experimental results is presented; also the I-V characteristics obtained from analytical modelling compared with the first principle calculations and close agreement is observed.

Item Type:Article
Uncontrolled Keywords:band structure, electrical conductance
Subjects:T Technology > TK Electrical engineering. Electronics Nuclear engineering
Divisions:Electrical Engineering
ID Code:85564
Deposited By: Widya Wahid
Deposited On:30 Jun 2020 16:50
Last Modified:30 Jun 2020 16:50

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