Pillared Graphene Structures Supported by Vertically Aligned Carbon Nanotubes as the Potential Recognition Element for DNA Biosensors

Shunaev, Vladislav V.; Glukhova, Olga E.

doi:10.3390/ma13225219

Cited by 6 publications

(7 citation statements)

References 59 publications

(114 reference statements)

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“…All calculations were performed in DFTB + 21.2 [26] free software at 300 K package with the max force component = 1e −4 . We showed earlier that the CNT growing from GNM with these translation vectors was the most favorable [22]. The lowest energy matches to the structure with the hexagonal hole (−47.23 eV/atom).…”

Section: Atomic Structures Of Gnm With Holes Of Different Geometrysupporting

confidence: 52%

“…drogen storage, nanoelectronic devices, supercapacitors, and biosensors [18][19][20]. We have already simulated the growth of armchair and chiral CNTs on GNM surface with a hole in the form of a hexagon [21,22] and found the neck's width that provided the parameters of the most favorable growing. It's obvious that the geometric form of the hole will influence this process and it will change the conductive parameters of GNM.…”

Section: Atomic Structures Of Gnm With Holes Of Different Geometrymentioning

confidence: 99%

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The Influence of Hydrogen Passivation on Conductive Properties of Graphene Nanomesh—Prospect Material for Carbon Nanotubes Growing

Shunaev

Glukhova

2022

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Graphene nanomesh (GNM) is one of the most intensively studied materials today. Chemical activity of atoms near GNM’s nanoholes provides favorable adsorption of different atoms and molecules, besides that, GNM is a prospect material for growing carbon nanotubes (CNTs) on its surface. This study calculates the dependence of CNT’s growing parameters on the geometrical form of a nanohole. It was determined by the original methodic that the CNT’s growing from circle nanoholes was the most energetically favorable. Another attractive property of GNM is a tunable gap in its band structure that depends on GNM’s topology. It is found by quantum chemical methods that the passivation of dangling bonds near the hole of hydrogen atoms decreases the conductance of the structure by 2–3.5 times. Controlling the GNM’s conductance may be an important tool for its application in nanoelectronics.

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Section: Atomic Structures Of Gnm With Holes Of Different Geometrysupporting

confidence: 52%

Section: Atomic Structures Of Gnm With Holes Of Different Geometrymentioning

confidence: 99%

The Influence of Hydrogen Passivation on Conductive Properties of Graphene Nanomesh—Prospect Material for Carbon Nanotubes Growing

Shunaev

Glukhova

2022

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“…Nanomaterials 2021, 11, x FOR PEER REVIEW 2 of 10 the possibility to grow nanotubes of different chirality on its surface [23,24]. Earlier, authors of this study showed that that the growth of single-walled carbon nanotubes (6,6) and (9,9) in HG round-shaped holes with a size of approximately 0.8-1.2 nm was energetically favorable [25,26]. The aim of this work was to study the dependency of the electrical conductivity in the HG with round holes on the neck width.…”

Section: Methodsmentioning

confidence: 88%

“…Another advantage of HG with round holes is the possibility to grow nanotubes of different chirality on its surface [ 23 , 24 ]. Earlier, authors of this study showed that that the growth of single-walled carbon nanotubes (6,6) and (9,9) in HG round-shaped holes with a size of approximately 0.8–1.2 nm was energetically favorable [ 25 , 26 ].…”

Section: Introductionmentioning

confidence: 99%

Holey Graphene: Topological Control of Electronic Properties and Electric Conductivity

Barkov

Glukhova

2021

Nanomaterials

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This paper studies holey graphene with various neck widths (the smallest distance between two neighbor holes). For the considered structures, the energy gap, the Fermi level, the density of electronic states, and the distribution of the local density of electronic states (LDOS) were found. The electroconductive properties of holey graphene with round holes were calculated depending on the neck width. It was found that, depending on the neck width, holey graphene demonstrated a semiconductor type of conductivity with an energy gap varying in the range of 0.01–0.37 eV. It was also shown that by changing the neck width, it is possible to control the electrical conductivity of holey graphene. The anisotropy of holey graphene electrical conductivity was observed depending on the direction of the current transfer.

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“…The 3-ob-3-1 basis set was applied to describe the interaction between the Zn, O, C and H atoms [37]. It should be noted that the authors successfully applied the SCC DFTB method earlier to calculate the binding energy between carbon nanostructures and various functional groups including iron oxide [38] and DNA [39]. In addition, this method accurately describes the behavior of H 2 O clusters [40,41] to be within the scope of the current study.…”

Section: Dftb Calculationsmentioning

confidence: 95%

The UV Effect on the Chemiresistive Response of ZnO Nanostructures to Isopropanol and Benzene at PPM Concentrations in Mixture with Dry and Wet Air

et al. 2021

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Towards the development of low-power miniature gas detectors, there is a high interest in the research of light-activated metal oxide gas sensors capable to operate at room temperature (RT). Herein, we study ZnO nanostructures grown by the electrochemical deposition method over Si/SiO2 substrates equipped by multiple Pt electrodes to serve as on-chip gas monitors and thoroughly estimate its chemiresistive performance upon exposing to two model VOCs, isopropanol and benzene, in a wide operating temperature range, from RT to 350 °C, and LED-powered UV illumination, 380 nm wavelength; the dry air and humid-enriched, 50 rel. %, air are employed as a background. We show that the UV activation allows one to get a distinctive chemiresistive signal of the ZnO sensor to isopropanol at RT regardless of the interfering presence of H2O vapors. On the contrary, the benzene vapors do not react with UV-illuminated ZnO at RT under dry air while the humidity’s appearance gives an opportunity to detect this gas. Still, both VOCs are well detected by the ZnO sensor under heating at a 200–350 °C range independently on additional UV exciting. We employ quantum chemical calculations to explain the differences between these two VOCs’ interactions with ZnO surface by a remarkable distinction of the binding energies characterizing single molecules, which is −0.44 eV in the case of isopropanol and −3.67 eV in the case of benzene. The full covering of a ZnO supercell by H2O molecules taken for the effect’s estimation shifts the binding energies to −0.50 eV and −0.72 eV, respectively. This theory insight supports the experimental observation that benzene could not react with ZnO surface at RT under employed LED UV without humidity’s presence, indifference to isopropanol.

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Pillared Graphene Structures Supported by Vertically Aligned Carbon Nanotubes as the Potential Recognition Element for DNA Biosensors

Cited by 6 publications

References 59 publications

The Influence of Hydrogen Passivation on Conductive Properties of Graphene Nanomesh—Prospect Material for Carbon Nanotubes Growing

The Influence of Hydrogen Passivation on Conductive Properties of Graphene Nanomesh—Prospect Material for Carbon Nanotubes Growing

Holey Graphene: Topological Control of Electronic Properties and Electric Conductivity

The UV Effect on the Chemiresistive Response of ZnO Nanostructures to Isopropanol and Benzene at PPM Concentrations in Mixture with Dry and Wet Air

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