Highly sensitive and selective room-temperature NO 2 gas sensor based on bilayer transferred chemical vapor deposited graphene

Seekaew, Yotsarayuth; Phokharatkul, Ditsayut; Wisitsoraat, Anurat; Wongchoosuk, Chatchawal

doi:10.1016/j.apsusc.2017.01.286

Cited by 99 publications

(39 citation statements)

References 52 publications

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“…The SCC-DFTB provided the molecular structures, energies and electronic properties in excellent agreement with DFT methods but was ∼100-1000 times faster. The SCC-DFTB can also include reliable description of dispersions and weak interactions (Van der Waals and H-bonding) that are important roles for investigation of gas adsorption on a sensing material which is consistent with experimental observations [40,45,47,48]. Moreover, the SCC-DFTB was proved to be effective in the simulation studies of boron nitride nanostructures systems [49][50][51].…”

Section: Introductionsupporting

confidence: 72%

Adsorption of NO₂, HCN, HCHO and CO on pristine and amine functionalized boron nitride nanotubes by self-consistent charge density functional tight-binding method

Timsorn

Wongchoosuk

2020

Mater. Res. Express

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The adsorptions of toxic gases including NO 2 , HCN, HCHO and CO molecules on the pristine and amine functionalized (5,0) single-wall boron nitride nanotubes (BNNTs) are investigated based on self-consistent charge density functional tight-binding (SCC-DFTB) method. The calculated results indicate that the pristine (5,0) BNNT exhibits weak adsorption for the gas molecules. Based on the calculated adsorption energy, interaction distances and charge transfer, amine functionalization at a boron atom of the pristine (5,0) BNNT enhances the sensitivity of the pristine (5,0) BNNT toward the gas molecules. The electronic densities of state results reveal that new local states in the vicinity of Fermi level for adsorption between amine functionalized BNNT and the gas molecules significantly appear. This confirms the improved sensitivity of the pristine (5,0) BNNT functionalized with amine for adsorption of the toxic gases. This study is expected to provide a useful guidance on gas sensing application of pristine and amine functionalized BNNTs for detection of the toxic gases at room temperature. [3,31]. Also, previous theoretical studies showed that the interaction between gas molecules and BNNTs doped with metals at boron atoms was stronger than N atom of the nanotubes [3,32].Covalent/noncovalent functionalization on BNNT surfaces can improve the electronic properties of BNNTs for gas sensor applications [22,[33][34][35]. The previous studies reported that the band structures of BNNTs may be changed by chemical functionalization [36,37]. To the best of our knowledge, the reports about BNNTs functionalized with amine groups (NH 2 ) for adsorption of toxic gases are less available. Based on these motivations, we thus present the study of sensor performances of pristine (5,0) single-walled BNNT (pristine (5,0) BNNT) and amine functionalized (5,0) single-walled BNNT (NH 2 -(5,0) BNNT) for adsorption of important dangerous NO 2 , HCN, HCHO and CO gases using self-consistent charge density functional tight-binding (SCC-DFTB) method including van der Waals dispersion corrections. These gas molecules are chosen because they are the most common air pollutants that usually cause harm to human health and ecosystem. The air pollutions are generated from car engines, factories, power plants, human activity and natural processes [38,39], i.e., typical internal car combustion engine produces high concentrations of CO when fuels burn incompletely. Internal combustion engines and the use of gas stoves for cooking also produce NO 2 . The HCN is released from combustion of organic matter, building fires, cigarettes or car exhaust fumes while HCHO is found from furniture, cosmetics, cleaning products, glues, paints as well as contaminants in seafood [40]. Therefore, new sensing materials for detection of these air pollutions are still important. The results of this study are attributed to provide useful information and guidance for gas sensor designs in future experiments. Calculation methodThe SCC-DFTB method is based on a second-order ex...

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Section: Introductionsupporting

confidence: 72%

Adsorption of NO₂, HCN, HCHO and CO on pristine and amine functionalized boron nitride nanotubes by self-consistent charge density functional tight-binding method

Timsorn

Wongchoosuk

2020

Mater. Res. Express

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“…So, a highly sensitive sensor system to identify low proportions of NO 2 gas in the air is necessary. Seekaew et al [47] developed a highly sensitive room-temperature gas sensor depositing a GPN bilayer onto Ni electrodes. e authors compared the performance of bilayer GPN gas sensor at room temperature with samples of monolayer and multilayer of GPN.…”

Section: Chemical-properties Sensorsmentioning

confidence: 99%

Carbon Nanostructure-based Sensors: A Brief Review on Recent Advances

Bezzon

Montanheiro

Menezes

et al. 2019

Advances in Materials Science and Engineering

117

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A brief review reporting the recent advances on the carbon nanostructured materials-based sensors covering recently published works is presented. Several works dealing with experimental and theoretical data are reviewed and discussed. The main results for carbon nanotubes, nanodiamonds, fullerene, graphene, and hybrid carbon-nanostructured devices that show sensing properties in different fields were considered for the discussions. The goal of this paper was to highlight sensor mechanisms, and the best results reached up to now are creating bases for further applications.

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“…(II) Electrochemical exfoliation method is based on formation of graphene product from graphite rod or highly orientated pyrolytic graphite (HOPG) by using electricity for exfoliation of the graphite rod or HOPG immersed into electrolyte solutions [2]. (III) Chemical vapor deposition (CVD) method provides high-quality graphene products with controllable graphene layers over a large-scale area [3,4]. Usually, methane (CH 4 ) and acetylene (C 2 H 2 ) were used as carbon source for graphene growths on copper (Cu) or nickel (Ni) foam under high temperature around 1000°C.…”

Section: Overviewmentioning

confidence: 99%

“…We reported fabrication of various layer graphene gas sensors for NO 2 detection and investigated the layer effect of graphene to NO 2 detection. We found that bilayer graphene gas sensor exhibited the highest response and highest sensitivity to NO 2 at room temperature due to accessible active surface area and unique band structure of bilayer graphene [3]. Very recently, we demonstrated a new type of graphene gas sensor based on AC electroluminescent (EL) principle [4].…”

Section: Applications Of 2d Materials 31 Graphenementioning

confidence: 99%

Introductory Chapter: 2D Materials

Seekaew¹,

Wongchoosuk²

2019

2D Materials

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Highly sensitive and selective room-temperature NO 2 gas sensor based on bilayer transferred chemical vapor deposited graphene

Cited by 99 publications

References 52 publications

Adsorption of NO₂, HCN, HCHO and CO on pristine and amine functionalized boron nitride nanotubes by self-consistent charge density functional tight-binding method

Adsorption of NO₂, HCN, HCHO and CO on pristine and amine functionalized boron nitride nanotubes by self-consistent charge density functional tight-binding method

Carbon Nanostructure-based Sensors: A Brief Review on Recent Advances

Introductory Chapter: 2D Materials

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Highly sensitive and selective room-temperature NO 2 gas sensor based on bilayer transferred chemical vapor deposited graphene

Cited by 99 publications

References 52 publications

Adsorption of NO2, HCN, HCHO and CO on pristine and amine functionalized boron nitride nanotubes by self-consistent charge density functional tight-binding method

Adsorption of NO2, HCN, HCHO and CO on pristine and amine functionalized boron nitride nanotubes by self-consistent charge density functional tight-binding method

Carbon Nanostructure-based Sensors: A Brief Review on Recent Advances

Introductory Chapter: 2D Materials

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Product

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Adsorption of NO₂, HCN, HCHO and CO on pristine and amine functionalized boron nitride nanotubes by self-consistent charge density functional tight-binding method

Adsorption of NO₂, HCN, HCHO and CO on pristine and amine functionalized boron nitride nanotubes by self-consistent charge density functional tight-binding method