NO2 gas sensor based on hydrogenated graphene

Park, Sung Jin; Park, Minji; Kim, Sung-Hyun; Yi, Sum Gyun; Kim, Myeongjin; Son, Jangyup; Cha, Ji-Young; Hong, Jongill; Yoo, Kyung Hwa

doi:10.1063/1.4999263

Cited by 32 publications

(19 citation statements)

References 22 publications

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“…A possible explanation is the failure of the synthesis with conventional nitration methods and/or researchers may do not pay enough attention to the type of binding when studying the characteristics of gas sensors. For example, it has been reported that the UV-assisted sensing performance of HG is several times higher than that of GO, without any analysis of the binding type [36].…”

Section: Resultsmentioning

confidence: 99%

On the stability and existence of nitro-graphene, nitro-graphane, and nitro-graphene oxide

Yamaletdinov¹

2020

Preprint

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Here, the possibility of the existence of nitro-graphene derivatives with undisturbed graphene backbone is considered. Based on the first-principles calculation, it is shown that while NO2 is unable to form a covalent bond with bare graphene, it becomes possible in some structures of graphane, fluorographene, and graphene oxide. This paper presents, among others, an analysis of the surrounding influence on the C-NO2 bond strength. The author believes, that potential prospects of these materials and discussion about possible synthesizing routes may help further research on graphene-based materials.

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Section: Resultsmentioning

confidence: 99%

On the stability and existence of nitro-graphene, nitro-graphane, and nitro-graphene oxide

Yamaletdinov¹

2020

Preprint

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“…An alternate approach was to hydrogenate a graphene surface. This hydrogenated graphene sensor proved to be a stable NO 2 sensor at room temp [19].…”

Section: Introductionmentioning

confidence: 87%

“…A variety of graphene-based chemical sensors have been developed, fabricated, and tested [12]- [19]. Results from these devices demonstrate that graphene is a material suitable for constructing multifunctional sensors for varied applications [12].…”

Section: Introductionmentioning

confidence: 99%

Modeling Enhanced Adsorption of Explosive Molecules on a Hydroxylated Graphene Pore

Holt¹,

Rybolt²

2019

Graphene

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The possibility of a graphene bilayer nanosensor for the detection of explosive molecules was modeled using computational chemistry. A pore was designed on a graphene bilayer structure with three strategically placed perimeter hydroxyl (OH) groups built around the edge of an indented, two-dimensional hexagonal pore. This hydroxylated pore and models of various explosive molecules were optimized using MM2 molecular mechanics parameters. Values were calculated for the molecule-surface interaction energy (binding energy), E, for 22 explosive molecules on a flat graphene bilayer and on the specially designed hydroxylated pore within the bilayer. The molecule-surface binding energy for trinitrotoluene (TNT) increased from 17.9 kcal/mol on the flat graphene bilayer to 42.3 kcal/mol on the hydroxylated pore. Due to the common functionality of nitro groups that exist on many explosive molecules, the other explosive molecules studied gave similar enhancements based on the specific hydrogen bonding interactions formed within the pore. Each of the 22 explosive adsorbate molecules showed increased molecule-surface interaction on the bilayer hydroxylated pore as compared to the flat bilayer. For the 22 molecules, the average E for the flat graphite surface was 15.8 kcal/mol and for the hydroxylated pore E was 33.8 kcal/mol. An enhancement of adsorption should make a detection device more sensitive. Nanosensors based on a modified graphene surface may be useful for detecting extremely low concentrations of explosive molecules or explosive signature molecules.

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“…However, the main drawback of graphene sensors is their low or zero selectivity. This can be improved by the modification of graphene 31,32 . Another approach is to involve multiple detection techniques.…”

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confidence: 99%

Graphene-enhanced Raman scattering on single layer and bilayers of pristine and hydrogenated graphene

Valeš

Drogowska-Horná

Guerra

et al. 2020

Sci Rep

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Graphene-enhanced Raman scattering (GeRS) on isotopically labelled bilayer and a single layer of pristine and partially hydrogenated graphene has been studied. the hydrogenated graphene sample showed a change in relative intensities of Raman bands of Rhodamine 6 G (R6G) with different vibrational energies deposited on a single layer and bilayer graphene. the change corresponds qualitatively to different doping of graphene in both areas. Pristine graphene sample exhibited no difference in doping nor relative intensities of R6G Raman peaks in the single layer and bilayer areas. Therefore, it was concluded that strain and strain inhomogeneities do not affect the GERS. Because of analyzing relative intensities of selected peaks of the R6G probe molecules, it is possible to obtain these results without determining the enhancement factor and without assuming homogeneous coverage of the molecules. furthermore, we tested the approach on copper phtalocyanine molecules. Enhancement of the signal in spectroscopy has crucial importance for detection and study of a low amount of species. For Raman spectroscopy, the surface-enhanced Raman scattering (SERS) technique is widely used 1 enabling even single-molecule detection 2. One of the restrictions of this approach is the limited stability of the metals that are needed to achieve signal enhancement 3. Recently, it was observed that graphene itself can provide significant enhancement of the Raman signal and the so-called graphene-enhanced Raman scattering (GERS) 4-6 was established. Note that both SERS and GERS can contribute to the molecular Raman signal together 7. Apart from the relatively good chemical stability of graphene, it was also found that graphene quenches photoluminescence 8 , which is important for practical experiments. The GERS was observed for various molecules 9-11 and also for other 2D materials, which were employed as active substrate 12. Furthermore, it was shown that the enhancement can be tuned by changing the Fermi energy of graphene (modified by the electrical field effect) 13 , by substitutional doping with heteroatoms 14,15 , or by chemical functionalization 16,17. More detailed studies demonstrated that the enhancement is also a function of the phonon energy of the specific vibration and also laser excitation energy 10. The observed effects were rationalized by a simple theoretical approach taking into account several different resonance processes 18. It was already shown previously that different doping of graphene induced by functionalization leads to a change in the relative intensities of individual GERS peaks of the probe molecules 16. The overall GERS enhancement depends on the laser excitation energy, lowest unoccupied molecular orbital (LUMO), and highest occupied molecular orbital (HOMO) energies of the probe molecules, the vibrational energy of the actual molecular Raman mode, and on the Fermi energy of graphene 18. Specifically:

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NO2 gas sensor based on hydrogenated graphene

Cited by 32 publications

References 22 publications

On the stability and existence of nitro-graphene, nitro-graphane, and nitro-graphene oxide

On the stability and existence of nitro-graphene, nitro-graphane, and nitro-graphene oxide

Modeling Enhanced Adsorption of Explosive Molecules on a Hydroxylated Graphene Pore

Graphene-enhanced Raman scattering on single layer and bilayers of pristine and hydrogenated graphene

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