Open Access
Journal of Physical Chemistry Letters, volume 6, issue 22, pages 4525-4531
Translation Symmetry Breakdown in Low-Dimensional Lattices of Pentagonal Rings
Avramov Pavel V.
1
,
Demin Victor A.
2
,
Luo Ming
3
,
Choi Cheol Ho
1
,
Sorokin Pavel B.
4
,
Chernozatonskii Leonid
2
1
Department
of Chemistry and Green-Nano Materials Research Center, College of
Natural Sciences, Kyungpook National University, 1370 Sankyuk-dong, Buk-gu, Daegu 702-701, Republic of Korea
|
Publication type: Journal Article
Publication date: 2015-11-04
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 5.7
ISSN: 19487185
Physical and Theoretical Chemistry
General Materials Science
Abstract
The mechanism of translation symmetry breakdown in newly proposed low-dimensional carbon pentagon-constituted nanostructures (e.g., pentagraphene) with multiple sp(2)/sp(3) sublattices was studied by GGA DFT, DFTB, and model potential approaches. It was found that finite nanoclusters suffer strong uniform unit cell bending followed by breaking of crystalline lattice linear translation invariance caused by structural mechanical stress. It was shown that 2D sp(2)/sp(3) nanostructures are correlated transition states between two symmetrically equivalent bent structures. At DFT level of theory the distortion energy of the flakes (7.5 × 10(-2) eV/atom) is much higher the energy of dynamical stabilization of graphene. Strong mechanical stress prevents stabilization of the nanoclusters on any type of supports by either van der Waals or covalent bonding and should lead to formation of pentatubes, nanorings, or nanofoams rather than infinite nanoribbons or nanosheets. Formation of two-layered pentagraphene structures leads to compensation of the stress and stabilization of flat finite pentaflakes.
Citations by journals
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Citations by publishers
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1 publication, 3.03%
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Wiley
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Wiley
1 publication, 3.03%
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Multidisciplinary Digital Publishing Institute (MDPI)
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1 publication, 3.03%
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2
4
6
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10
12
14
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Avramov P. V. et al. Translation Symmetry Breakdown in Low-Dimensional Lattices of Pentagonal Rings // Journal of Physical Chemistry Letters. 2015. Vol. 6. No. 22. pp. 4525-4531.
GOST all authors (up to 50)
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Avramov P. V., Demin V. A., Luo M., Choi C. H., Sorokin P. B., Yakobson B. I., Chernozatonskii L. Translation Symmetry Breakdown in Low-Dimensional Lattices of Pentagonal Rings // Journal of Physical Chemistry Letters. 2015. Vol. 6. No. 22. pp. 4525-4531.
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TY - JOUR
DO - 10.1021/acs.jpclett.5b02309
UR - https://doi.org/10.1021%2Facs.jpclett.5b02309
TI - Translation Symmetry Breakdown in Low-Dimensional Lattices of Pentagonal Rings
T2 - Journal of Physical Chemistry Letters
AU - Luo, Ming
AU - Chernozatonskii, Leonid
AU - Avramov, Pavel V.
AU - Demin, Victor A.
AU - Choi, Cheol Ho
AU - Sorokin, Pavel B.
AU - Yakobson, Boris I.
PY - 2015
DA - 2015/11/04 00:00:00
PB - American Chemical Society (ACS)
SP - 4525-4531
IS - 22
VL - 6
SN - 1948-7185
ER -
Cite this
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@article{2015_Avramov,
author = {Ming Luo and Leonid Chernozatonskii and Pavel V. Avramov and Victor A. Demin and Cheol Ho Choi and Pavel B. Sorokin and Boris I. Yakobson},
title = {Translation Symmetry Breakdown in Low-Dimensional Lattices of Pentagonal Rings},
journal = {Journal of Physical Chemistry Letters},
year = {2015},
volume = {6},
publisher = {American Chemical Society (ACS)},
month = {nov},
url = {https://doi.org/10.1021%2Facs.jpclett.5b02309},
number = {22},
pages = {4525--4531},
doi = {10.1021/acs.jpclett.5b02309}
}
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MLA
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Avramov, Pavel V., et al. “Translation Symmetry Breakdown in Low-Dimensional Lattices of Pentagonal Rings.” Journal of Physical Chemistry Letters, vol. 6, no. 22, Nov. 2015, pp. 4525-4531. https://doi.org/10.1021%2Facs.jpclett.5b02309.
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