Volume 22, Issue 1 (JIAEEE Vol.22 No.1 2025)
Journal of Iranian Association of Electrical and Electronics Engineers 2025, 22(1): 79-90 |
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Cheshmehkhavar S, Molaeezadeh S F. Theoretical Design and Characterization of Borophene-based Nanosensors for Detecting Toxic Gases. Journal of Iranian Association of Electrical and Electronics Engineers 2025; 22 (1) :79-90
URL: http://jiaeee.com/article-1-1614-en.html
URL: http://jiaeee.com/article-1-1614-en.html
Jundi-Shapur University of Technology
Abstract: (191 Views)
The detection and removal of toxic gases, particularly at low concentrations, while maintaining high sensitivity, is a critical concern in various applications. This research is dedicated to investigating the adsorption of NO2 gas molecules on two-dimensional nanosheets and one-dimensional nanoribbons. The specific focus is on understanding the impact of adsorption on the electronic structure and transport properties of two stable phases of nanoribbons, namely ϰ3 and β12 . To achieve this, computational simulations of borophene nanostructures are conducted using Density Functional Theory (DFT) and Non-Equilibrium Green's Function theory (NEGF) with the VNL-ATK software package.
The findings of this study demonstrate that the sensing performance heavily relies on both the geometrical structure of borophene and the specific locations of gas adsorption, as well as the direction of the charge transfer. Maximum relative current changes before and after gas adsorbtion in armchair ϰ3 and zigzag β12 nanoribbon-based devices, within the voltage range of 0.1 to 1.5 V, are 62% and 38%. Furthermore, both devices exhibit similar relative changes in their currents at the voltage of 0.1 V, approximately 32%. The noteworthy relative current changes observed at low voltages indicate that sensors based on the armchair ϰ3 borophene nanoribbon exhibit exceptional sensitivity and selectivity in detecting small gas molecules, particularly NO2. These findings emphasize the potential of such nanoribbon-based sensors for effective gas detection and offer valuable insights for the development of advanced gas sensing technologies.
The findings of this study demonstrate that the sensing performance heavily relies on both the geometrical structure of borophene and the specific locations of gas adsorption, as well as the direction of the charge transfer. Maximum relative current changes before and after gas adsorbtion in armchair ϰ3 and zigzag β12 nanoribbon-based devices, within the voltage range of 0.1 to 1.5 V, are 62% and 38%. Furthermore, both devices exhibit similar relative changes in their currents at the voltage of 0.1 V, approximately 32%. The noteworthy relative current changes observed at low voltages indicate that sensors based on the armchair ϰ3 borophene nanoribbon exhibit exceptional sensitivity and selectivity in detecting small gas molecules, particularly NO2. These findings emphasize the potential of such nanoribbon-based sensors for effective gas detection and offer valuable insights for the development of advanced gas sensing technologies.
Keywords: ϰ3 &, β12 Borophene, Zigzag &, Armchair Nanoribbons, Transport Properties, Adsorption Behaviours, Density Functional Theory (DFT), Non-Equilibrium Green’s Function (NEGF), NO2 gas molecule.
Type of Article: Research |
Subject:
Electronic
Received: 2023/07/3 | Accepted: 2024/09/29 | Published: 2025/05/29
Received: 2023/07/3 | Accepted: 2024/09/29 | Published: 2025/05/29
Extended Abstract [PDF 286 KB] (7 Download)
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