Applied Surface Science, volume 572, pages 151362

Diamane quasicrystals

Publication typeJournal Article
Publication date2022-01-01
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor6.7
ISSN01694332
Surfaces, Coatings and Films
General Chemistry
General Physics and Astronomy
Condensed Matter Physics
Surfaces and Interfaces
Abstract
• Fully sp 3 -hybridized carbon quasicrystal is proposed. • Band gap of hydrogenated and fluorinated quasicrystals are estimated to be 3.5 eV and over 4 eV, respectively. • Fluorinated quasicrystal has lower formation energy than hydrogenated one. • Diamane quasicrystal is mechanically stronger than AB-diamane. Here we propose the first two-dimensional carbon quasicrystal made entirely of sp 3 -hybridized atoms, namely diamane quasicrystal. This nanostructure is based on incommensurate lattice of two graphene layers twisted by 30° with respect to each other (well-known graphene quasicrystal) with totally hydrogenated or fluorinated surfaces of bilayer graphene (similar to formation of AB-stacked diamane by means of applying high pressure treatment). We describe in detail the features of atomic structure appearing during the formation of quasicrystal. Thermodynamic stability, electronic and mechanical characteristics in comparison with both periodic approximants and AB-stacked diamanes via DFT and MD methods are studied and discussed. Proposed diamane quasicrystals exhibit unique mechanical properties: they are stiffer and more brittle than AB-stacked diamane. Our study shows that quasicrystalline diamane is a prospective material that opens a new way towards the synthesis of inorganic quasicrystals of various compositions with unique set of physical and chemical properties.

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Chernozatonskii L. A. et al. Diamane quasicrystals // Applied Surface Science. 2022. Vol. 572. p. 151362.
GOST all authors (up to 50) Copy
Chernozatonskii L. A., Kvashnin D. G., Demin V. A., Kvashnin A. G., Kvashnin D. Diamane quasicrystals // Applied Surface Science. 2022. Vol. 572. p. 151362.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1016/j.apsusc.2021.151362
UR - https://doi.org/10.1016%2Fj.apsusc.2021.151362
TI - Diamane quasicrystals
T2 - Applied Surface Science
AU - Chernozatonskii, Leonid A.
AU - Kvashnin, Dmitry G.
AU - Demin, Victor A.
AU - Kvashnin, Alexander G.
AU - Kvashnin, Dmitry
PY - 2022
DA - 2022/01/01 00:00:00
PB - Elsevier
SP - 151362
VL - 572
SN - 0169-4332
ER -
BibTex
Cite this
BibTex Copy
@article{2022_Chernozatonskii,
author = {Leonid A. Chernozatonskii and Dmitry G. Kvashnin and Victor A. Demin and Alexander G. Kvashnin and Dmitry Kvashnin},
title = {Diamane quasicrystals},
journal = {Applied Surface Science},
year = {2022},
volume = {572},
publisher = {Elsevier},
month = {jan},
url = {https://doi.org/10.1016%2Fj.apsusc.2021.151362},
pages = {151362},
doi = {10.1016/j.apsusc.2021.151362}
}
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