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Two-dimensional C6B4 and C8B4 monolayers: a new family of non-classical systems with planar tetracoordinate carbon atoms and highly anisotropic mechanical properties

Stanislav Alexandrovich Zaitsev 1
Stanislav Alexandrovich Zaitsev
, 
Iliya Vladimirovich Getmanskii 1
Iliya Vladimirovich Getmanskii
, 
Tatyana N Gribanova 1
Tatyana N Gribanova
, 
Ruslan Mikhailovich Minyaev 1
Ruslan Mikhailovich Minyaev
10.71267/mencom.7595
Published 2025-02-18
Focus article , Volume 35, Issue 2, 123-127
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Zaitsev S. A. et al. Two-dimensional C6B4 and C8B4 monolayers: a new family of non-classical systems with planar tetracoordinate carbon atoms and highly anisotropic mechanical properties // Mendeleev Communications. 2025. Vol. 35. No. 2. pp. 123-127.
GOST all authors (up to 50) Copy
Zaitsev S. A., Getmanskii I. V., Gribanova T. N., Minyaev R. M. Two-dimensional C6B4 and C8B4 monolayers: a new family of non-classical systems with planar tetracoordinate carbon atoms and highly anisotropic mechanical properties // Mendeleev Communications. 2025. Vol. 35. No. 2. pp. 123-127.
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TY - JOUR
DO - 10.71267/mencom.7595
UR - https://mendcomm.colab.ws/publications/10.71267/mencom.7595
TI - Two-dimensional C6B4 and C8B4 monolayers: a new family of non-classical systems with planar tetracoordinate carbon atoms and highly anisotropic mechanical properties
T2 - Mendeleev Communications
AU - Zaitsev, Stanislav Alexandrovich
AU - Getmanskii, Iliya Vladimirovich
AU - Gribanova, Tatyana N
AU - Minyaev, Ruslan Mikhailovich
PY - 2025
DA - 2025/02/18
PB - Mendeleev Communications
SP - 123-127
IS - 2
VL - 35
ER -
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@article{2025_Zaitsev,
author = {Stanislav Alexandrovich Zaitsev and Iliya Vladimirovich Getmanskii and Tatyana N Gribanova and Ruslan Mikhailovich Minyaev},
title = {Two-dimensional C6B4 and C8B4 monolayers: a new family of non-classical systems with planar tetracoordinate carbon atoms and highly anisotropic mechanical properties},
journal = {Mendeleev Communications},
year = {2025},
volume = {35},
publisher = {Mendeleev Communications},
month = {Feb},
url = {https://mendcomm.colab.ws/publications/10.71267/mencom.7595},
number = {2},
pages = {123--127},
doi = {10.71267/mencom.7595}
}
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Zaitsev, Stanislav Alexandrovich, et al. “Two-dimensional C6B4 and C8B4 monolayers: a new family of non-classical systems with planar tetracoordinate carbon atoms and highly anisotropic mechanical properties.” Mendeleev Communications, vol. 35, no. 2, Feb. 2025, pp. 123-127. https://mendcomm.colab.ws/publications/10.71267/mencom.7595.
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Keywords

2D monolayer
anisotropic auxetic material
C6B4 monolayer
C8B4 monolayer
in-plane anisotropy
mechanical anisotropy coefficient
non-classical carbon
non-classical structural block
planar tetracoordinate carbon
Poisson’s ratio

Abstract

Crystalline forms of two-dimensional C6B4 and C8B4 monolayers designed on the basis of diboraspiropentadiene C3B2H4 structural blocks with planar tetracoordinate carbon atoms were studied using DFT calculations. The calculations predict the structural and dynamic stability of isomeric forms of C6B4 and C8B4 monolayers, which exhibit pronounced in-plane anisotropy of mechanical properties with high values of the mechanical anisotropy coefficient (up to 6.6) and maximum values of the Poisson’s ratio (up to 1.5). Isomers containing a continuous six-membered carbon ring within the structural block have negative Poisson’s ratios for some directions and can be characterized as anisotropic auxetics.

Funders

Russian Science Foundation
23-23-00338

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