Computer Design of Two-Dimensional Monolayers with Octahedral 1,6-Carborane Units
Publication type: Journal Article
Publication date: 2019-08-01
scimago Q3
wos Q4
SJR: 0.270
CiteScore: 3.0
Impact factor: 1.5
ISSN: 00360236, 15318613
Inorganic Chemistry
Physical and Theoretical Chemistry
Materials Science (miscellaneous)
Abstract
The structure and properties of two-dimensional monolayers composed of 1,6-carboranes have been studied by means of density functional theory calculations with periodic boundary conditions. Calculations of the phonon dispersion spectrum and band structure have shown that the 2D monolayers are dynamically stable and refer to indirect band gap semiconductors with a band gap of ~2.5 eV. Calculations of mechanical properties demonstrate that Young’s modulus for 2D 1,6-carborane nanosheets is lower than that for the monolayer of hexagonal boron nitride (h-BN) but exceeds that for the MoS2 monolayer.
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Total citations:
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Citations from 2025:
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(16.67%)
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Steglenko D. V. et al. Computer Design of Two-Dimensional Monolayers with Octahedral 1,6-Carborane Units // Russian Journal of Inorganic Chemistry. 2019. Vol. 64. No. 8. pp. 1031-1034.
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Steglenko D. V., Zaitsev S., Minyaev R. M., Minkin V. I. Computer Design of Two-Dimensional Monolayers with Octahedral 1,6-Carborane Units // Russian Journal of Inorganic Chemistry. 2019. Vol. 64. No. 8. pp. 1031-1034.
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RIS
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TY - JOUR
DO - 10.1134/s0036023619080163
UR - https://doi.org/10.1134/s0036023619080163
TI - Computer Design of Two-Dimensional Monolayers with Octahedral 1,6-Carborane Units
T2 - Russian Journal of Inorganic Chemistry
AU - Steglenko, D V
AU - Zaitsev, S.A.
AU - Minyaev, R M
AU - Minkin, V I
PY - 2019
DA - 2019/08/01
PB - Pleiades Publishing
SP - 1031-1034
IS - 8
VL - 64
SN - 0036-0236
SN - 1531-8613
ER -
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BibTex (up to 50 authors)
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@article{2019_Steglenko,
author = {D V Steglenko and S.A. Zaitsev and R M Minyaev and V I Minkin},
title = {Computer Design of Two-Dimensional Monolayers with Octahedral 1,6-Carborane Units},
journal = {Russian Journal of Inorganic Chemistry},
year = {2019},
volume = {64},
publisher = {Pleiades Publishing},
month = {aug},
url = {https://doi.org/10.1134/s0036023619080163},
number = {8},
pages = {1031--1034},
doi = {10.1134/s0036023619080163}
}
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MLA
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Steglenko, D. V., et al. “Computer Design of Two-Dimensional Monolayers with Octahedral 1,6-Carborane Units.” Russian Journal of Inorganic Chemistry, vol. 64, no. 8, Aug. 2019, pp. 1031-1034. https://doi.org/10.1134/s0036023619080163.