First Principle Investigations on Gas Molecules (CO₂, CO, NO₂, No and O₂) Using Armchair GaN Nanoribbons for Nano Sensor Applications

Jatkar, Mandar; Jha, Kamal K.; Patra, Sarat Kumar

doi:10.1109/jsen.2022.3144018

Cited by 6 publications

(2 citation statements)

References 47 publications

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“…As presented in table S2, the band gap of these sensors has been decreased as a consequence of the adsorption of CO molecules. Such behavior has been reported in AGaNNR, ZGaNNR, ZBNNR, and ZAlNNR hosts [33][34][35]. Furthermore, the threshold voltage for AGNR-based sensors (0.5 V) is higher than that of ASiNR-based sensors (0.28 V).…”

Section: Co Sensorsupporting

confidence: 57%

“…In addition to the graphene sheets, other configurations of this material, such as metal-decorated [21,22], ribbon [23,24], folded graphene nanoribbon [25] nanotube [26,27], or graphene oxide [28][29][30], are also used in sensing applications. The finding of graphene and its extraordinary properties encouraged scientists to search for new two-dimensional materials, such as silicene, phosphorene, molybdenum disulfide (MoS 2 ), hexagonal boron nitride (h-BN), aluminum nitride (AlN), gallium nitride (GaN), which perform better or similar to graphene in some aspects [31][32][33][34][35].…”

Section: Introductionmentioning

confidence: 99%

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Simulation of the Xenes nanoribbons for sensing CO, CO₂, and CH₄ gases

Alaee,

Sadeghzadeh,

Ostovari

2023

Phys. Scr.

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Xenes can be suitable candidates for sensing applications. So, their nanoribbon’s capabilities as carbon gas sensors have been investigated by employing tight-binding approximation coupling to Non-Equilibrium Green’s Function. The armchair type of graphene, silicene, and phosphorene nanoribbons (AGNR, ASiNR, and APNR) are selected from Xenes materials for sensing CO, CO2, and CH4 as carbon-based gases in different concentrations. Our study shows that AGNR-based sensors are sensitive to CO and CO2 gas molecules at low concentrations (below 0.15). ASiNR-based sensors have considerable sensitivity to all CO and CH4 gas molecule concentrations. However, APNR-based sensors can only detect CO2 gas molecules. While AGNR-based sensors show the best selectivity properties in the presence of three gases, and ASiNR-based sensors can select CO gas molecules from the rest. Although, APNR-based sensors show weak selectivity. Furthermore, due to their bond type, the APNR-based sensor has less recovery time than AGNR- and ASiNR-based gas sensors.

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Section: Co Sensorsupporting

confidence: 57%

Section: Introductionmentioning

confidence: 99%

Simulation of the Xenes nanoribbons for sensing CO, CO₂, and CH₄ gases

Alaee,

Sadeghzadeh,

Ostovari

2023

Phys. Scr.

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Effect of Defects to Tailor the Structural and Electronic Properties of Zigzag GaN Nanoribbons

Nemu,

Jaiswal

2024

Advcd Theory and Sims

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In the present manuscript, the effect of vacancy and Stone‐Wales defects (SWD) on the structural and electronic properties of zigzag GaN nanoribbons (ZGaNNR) is investigated. Apart from the conventional SWD ( rotation of formula unit), the rotation of formula unit i.e., Ga–N by and is also considered, which revealed remarkable findings. It is observed that the incorporation of considered defects is an exothermic process and the proposed structures are energetically feasible to be obtained. The considered vacancy defects settled in a magnetic ground state while the SWD always prefer a non‐magnetic state. The observed magnetic state is always stable by more than 400 meV compared to the corresponding non‐magnetic state. Furthermore, N‐vacancy defect is energetically preferred over Ga‐vacancy as well as the SWD. The electronic properties of ZGaNNR are highly influenced by the incorporation of vacancy or SWD. A semiconductor to metallic transition for vacancy defects whereas reduction in the bandgap has been witnessed for SWD. A direct to indirect conversion as well as spin polarization was also noticed in the selected geometries. The findings indicate that apart from tailoring the electronic properties, these defects can also be used for the realization of magnetic semiconductors for potential spintronic applications.

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The possibility of using the Zn (II) Butadiyne-linked porphyrin nanoring for detection and adsorption of AsH3, NO2, H2O, SO2, CS2, CO, and CO2 gases

Saadh,

Mustafa,

Yaseen

et al. 2024

Computational and Theoretical Chemistry

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First Principle Investigations on Gas Molecules (CO₂, CO, NO₂, No and O₂) Using Armchair GaN Nanoribbons for Nano Sensor Applications

Cited by 6 publications

References 47 publications

Simulation of the Xenes nanoribbons for sensing CO, CO₂, and CH₄ gases

Simulation of the Xenes nanoribbons for sensing CO, CO₂, and CH₄ gases

Effect of Defects to Tailor the Structural and Electronic Properties of Zigzag GaN Nanoribbons

The possibility of using the Zn (II) Butadiyne-linked porphyrin nanoring for detection and adsorption of AsH3, NO2, H2O, SO2, CS2, CO, and CO2 gases

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First Principle Investigations on Gas Molecules (CO₂, CO, NO₂, No and O₂) Using Armchair GaN Nanoribbons for Nano Sensor Applications

Cited by 6 publications

References 47 publications

Simulation of the Xenes nanoribbons for sensing CO, CO2, and CH4 gases

Simulation of the Xenes nanoribbons for sensing CO, CO2, and CH4 gases

Effect of Defects to Tailor the Structural and Electronic Properties of Zigzag GaN Nanoribbons

The possibility of using the Zn (II) Butadiyne-linked porphyrin nanoring for detection and adsorption of AsH3, NO2, H2O, SO2, CS2, CO, and CO2 gases

Contact Info

Product

Resources

About

Simulation of the Xenes nanoribbons for sensing CO, CO₂, and CH₄ gases

Simulation of the Xenes nanoribbons for sensing CO, CO₂, and CH₄ gases