Nanotechnology, volume 33, issue 28, pages 285001
Electronic properties and behavior of carbon network based on graphene and single-walled carbon nanotubes in strong electrical fields: quantum molecular dynamics study
Glukhova Olga E.
1, 2
Publication type: Journal Article
Publication date: 2022-04-22
Journal:
Nanotechnology
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor: 3.5
ISSN: 09574484, 13616528
General Chemistry
General Materials Science
Electrical and Electronic Engineering
Mechanical Engineering
Bioengineering
Mechanics of Materials
Abstract
Using the self-consistent-charge density-functional tight-binding method (SCC-DFTB) and extended lagrangian DFTB-based molecular dynamics, we performed in silico studies of the behavior of graphene–nanotube hybrid structures that are part of a branched 3D carbon network in strong electrical fields. It has been established that strong fields with strength ranging from 5 to 10 V nm−1 cause oscillating deformations of the atomic framework with a frequency in the range from 1.22 to 1.38 THz. It has been revealed that the oscillation frequency is determined primarily by the topology of the atomic framework of graphene–nanotube hybrid, while the electric field strength has an effect within 1%–2%. A further increase in electric field strength reduces the oscillation frequency to 0.7 THz, which accompanies the partial destruction of the atomic framework. The critical value of the electric field strength when the graphene is detached from the nanotube is ∼20 V nm−1.
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Nanotechnology
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IOP Publishing
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IOP Publishing
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Slepchenkov M. M., Glukhova O. E. Electronic properties and behavior of carbon network based on graphene and single-walled carbon nanotubes in strong electrical fields: quantum molecular dynamics study // Nanotechnology. 2022. Vol. 33. No. 28. p. 285001.
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Slepchenkov M. M., Glukhova O. E. Electronic properties and behavior of carbon network based on graphene and single-walled carbon nanotubes in strong electrical fields: quantum molecular dynamics study // Nanotechnology. 2022. Vol. 33. No. 28. p. 285001.
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TY - JOUR
DO - 10.1088/1361-6528/ac652a
UR - https://doi.org/10.1088%2F1361-6528%2Fac652a
TI - Electronic properties and behavior of carbon network based on graphene and single-walled carbon nanotubes in strong electrical fields: quantum molecular dynamics study
T2 - Nanotechnology
AU - Slepchenkov, Michael M.
AU - Glukhova, Olga E.
PY - 2022
DA - 2022/04/22 00:00:00
PB - IOP Publishing
SP - 285001
IS - 28
VL - 33
SN - 0957-4484
SN - 1361-6528
ER -
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@article{2022_Slepchenkov,
author = {Michael M. Slepchenkov and Olga E. Glukhova},
title = {Electronic properties and behavior of carbon network based on graphene and single-walled carbon nanotubes in strong electrical fields: quantum molecular dynamics study},
journal = {Nanotechnology},
year = {2022},
volume = {33},
publisher = {IOP Publishing},
month = {apr},
url = {https://doi.org/10.1088%2F1361-6528%2Fac652a},
number = {28},
pages = {285001},
doi = {10.1088/1361-6528/ac652a}
}
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Slepchenkov, Michael M., et al. “Electronic properties and behavior of carbon network based on graphene and single-walled carbon nanotubes in strong electrical fields: quantum molecular dynamics study.” Nanotechnology, vol. 33, no. 28, Apr. 2022, p. 285001. https://doi.org/10.1088%2F1361-6528%2Fac652a.
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