Improved gas adsorption on functionalized aluminene surface: A first-principles study

Pandey, Dhanshree; Kamal, C.; Dutt, Rajeev; Chakrabarti, Aparna

doi:10.1016/j.apsusc.2020.147364

Cited by 25 publications

(15 citation statements)

References 79 publications

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“…A strong interaction between the gas molecules and sensor is not good for a gas sensor because the desorption process of the gas molecules will be difficult and sensor need longer time to recover due to high recovery time. The recovery time [2,43,45] is obtained by following formula;

true τ = υ^{- 1} \exp ((), \frac{{- normalE}_{normala normald}}{k T})

…”

Section: Resultsmentioning

confidence: 99%

“…where

τ

υ

, E ad, k and T are the recovery time, attempt frequency, adsorption energy, Boltzmann constant and temperature, respectively. For better comparison of the recovery times, we have used three different attempt frequencies

(υ

) (1×10 12 Hz (infrared), 5.2×10 14 Hz (yellow light) and 1×10 16 Hz (UV light)) and two different temperatures (T=300 K and T=500 K) [2,43,45] . Recovery time

τ_{I}

τ_{Y}

and

τ_{U}

are for infrared, yellow and UV light, respectively.…”

Section: Resultsmentioning

confidence: 99%

“…Another important characteristic for the sensors of the gas molecules is the recovery time. [2,43,45] Recovery time of any gas sensor may be defined as the expected time until the desorption of the adsorbed molecule takes place from its host system. For a good gas sensor shorter recovery times are expected.…”

Section: Sensing Properties Of C 18 Nanoclustermentioning

confidence: 99%

“…[1] Globally, one of the main sources to fulfil the energy need is a fossil fuel and its improper combustion of the fossil fuel in industries and vehicles is responsible for the generation of extremely hazardous gas pollutants like carbon monoxide (CO) and nitrogen monoxide (NO) in the environment. [2,3] Both gases are colourless, odourless and tasteless, which make them untraceable 'silent killers'. [2,3] While, the NO gas molecule is irritating to the skin, eyes and mucous membrane, it rapidly reacts with ozone or radicals in the atmosphere and forming NO 2 .…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

An Ab‐initio Study of the C₁₈ nanocluster for Hazardous Gas Sensor Application

et al. 2022

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Understanding the interaction mechanism of CO, NO, and NH 3 gas molecules with cyclo [18]carbon (C 18 nanocluster) is important in developing C 18 nanocluster based sensors for hazardous gas detection. In this work, the adsorption performance of these gases with C 18 nanocluster was investigated using density functional theory (DFT) calculation. We have analyzed structural, electronic and sensing properties of C 18 along with Raman spectra to understand the sensing behaviour. We observed that the CO and NO molecules show chemisorption whereas NH 3 molecule shows physisorption towards C 18 nanocluster. The decrement of HOMO-LUMO gap after adsorption shows increment in conductivity, which is a good sign for sensor application. The fast recovery time of C 18 nanocluster (nanosecond to femtosecond) for CO and NO adsorption makes it portable and its abundance in nature as low-cost gas sensors. In a nutshell, the analysis of adsorption and electronic properties suggest that the C 18 nanocluster can be used as the ultrafast hazardous gas sensor.

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true τ = υ^{- 1} \exp ((), \frac{{- normalE}_{normala normald}}{k T})

…”

Section: Resultsmentioning

confidence: 99%

“…where

τ

υ

(υ

) (1×10 12 Hz (infrared), 5.2×10 14 Hz (yellow light) and 1×10 16 Hz (UV light)) and two different temperatures (T=300 K and T=500 K) [2,43,45] . Recovery time

τ_{I}

τ_{Y}

and

τ_{U}

are for infrared, yellow and UV light, respectively.…”

Section: Resultsmentioning

confidence: 99%

Section: Sensing Properties Of C 18 Nanoclustermentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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An Ab‐initio Study of the C₁₈ nanocluster for Hazardous Gas Sensor Application

et al. 2022

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“…Completely new, unexpected fields of application of transgraphenes and their derivatives are being proposed [153][154][155][156][157][158]. For instance, a material such as borophene is predicted to serve as an effective energy storage and also may form nanotubes analogous to those of graphene, which may have even higher electrical conductivity that suggests the possibility of their use as contacts and interconnections in nanodevices [91].…”

Section: Brief Outlook Into the Perspectives Of Single-element 2d Mat...mentioning

confidence: 99%

Single-Element 2D Materials beyond Graphene: Methods of Epitaxial Synthesis

et al. 2022

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Today, two-dimensional materials are one of the key research topics for scientists around the world. Interest in 2D materials is not surprising because, thanks to their remarkable mechanical, thermal, electrical, magnetic, and optical properties, they promise to revolutionize electronics. The unique properties of graphene-like 2D materials give them the potential to create completely new types of devices for functional electronics, nanophotonics, and quantum technologies. This paper considers epitaxially grown two-dimensional allotropic modifications of single elements: graphene (C) and its analogs (transgraphenes) borophene (B), aluminene (Al), gallenene (Ga), indiene (In), thallene (Tl), silicene (Si), germanene (Ge), stanene (Sn), plumbene (Pb), phosphorene (P), arsenene (As), antimonene (Sb), bismuthene (Bi), selenene (Se), and tellurene (Te). The emphasis is put on their structural parameters and technological modes in the method of molecular beam epitaxy, which ensure the production of high-quality defect-free single-element two-dimensional structures of a large area for promising device applications.

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Adsorption of industry affiliated gases on buckled aluminene for gas sensing applications

Khan,

Ashfaq,

Majid

et al. 2023

J Mol Model

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Improved gas adsorption on functionalized aluminene surface: A first-principles study

Cited by 25 publications

References 79 publications

An Ab‐initio Study of the C₁₈ nanocluster for Hazardous Gas Sensor Application

An Ab‐initio Study of the C₁₈ nanocluster for Hazardous Gas Sensor Application

Single-Element 2D Materials beyond Graphene: Methods of Epitaxial Synthesis

Adsorption of industry affiliated gases on buckled aluminene for gas sensing applications

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Improved gas adsorption on functionalized aluminene surface: A first-principles study

Cited by 25 publications

References 79 publications

An Ab‐initio Study of the C18 nanocluster for Hazardous Gas Sensor Application

An Ab‐initio Study of the C18 nanocluster for Hazardous Gas Sensor Application

Single-Element 2D Materials beyond Graphene: Methods of Epitaxial Synthesis

Adsorption of industry affiliated gases on buckled aluminene for gas sensing applications

Contact Info

Product

Resources

About

An Ab‐initio Study of the C₁₈ nanocluster for Hazardous Gas Sensor Application

An Ab‐initio Study of the C₁₈ nanocluster for Hazardous Gas Sensor Application