Map of Two-Dimensional Tungsten Chalcogenide Compounds (W–S, W–Se, W–Te) Based on USPEX Evolutionary Search
Publication type: Journal Article
Publication date: 2022-03-01
scimago Q3
wos Q3
SJR: 0.312
CiteScore: 2.3
Impact factor: 1.3
ISSN: 00213640, 10906487
Physics and Astronomy (miscellaneous)
Abstract
New two-dimensional nanostructures of W–X composition (X = S, Se, Te) are predicted using the evolutionary algorithm implemented in the USPEX software package. Based on the results, two new thermodynamically and dynamically stable two-dimensional W3S5 and W5Te2 structures are proposed. The density functional theory study of the electronic and optical properties of these monolayers is carried out. It is demonstrated that the predicted W3S5 and W5Te2 structures show semiconducting properties with band gaps of 0.62 and 0.40 eV, respectively, and the calculated extinction spectrum indicates a broad absorption band in the visible spectral range, making these materials promising for applications in photovoltaics and solar energy.
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Sukhanova E. et al. Map of Two-Dimensional Tungsten Chalcogenide Compounds (W–S, W–Se, W–Te) Based on USPEX Evolutionary Search // JETP Letters. 2022. Vol. 115. No. 5. pp. 292-296.
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Sukhanova E., Kvashnin A. G., Agamalyan M. A., Zakaryan H. A., Popov Z. I. Map of Two-Dimensional Tungsten Chalcogenide Compounds (W–S, W–Se, W–Te) Based on USPEX Evolutionary Search // JETP Letters. 2022. Vol. 115. No. 5. pp. 292-296.
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TY - JOUR
DO - 10.1134/S0021364022100162
UR - https://doi.org/10.1134/S0021364022100162
TI - Map of Two-Dimensional Tungsten Chalcogenide Compounds (W–S, W–Se, W–Te) Based on USPEX Evolutionary Search
T2 - JETP Letters
AU - Sukhanova, E.V.
AU - Kvashnin, A G
AU - Agamalyan, M A
AU - Zakaryan, H A
AU - Popov, Z I
PY - 2022
DA - 2022/03/01
PB - Pleiades Publishing
SP - 292-296
IS - 5
VL - 115
SN - 0021-3640
SN - 1090-6487
ER -
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BibTex (up to 50 authors)
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@article{2022_Sukhanova,
author = {E.V. Sukhanova and A G Kvashnin and M A Agamalyan and H A Zakaryan and Z I Popov},
title = {Map of Two-Dimensional Tungsten Chalcogenide Compounds (W–S, W–Se, W–Te) Based on USPEX Evolutionary Search},
journal = {JETP Letters},
year = {2022},
volume = {115},
publisher = {Pleiades Publishing},
month = {mar},
url = {https://doi.org/10.1134/S0021364022100162},
number = {5},
pages = {292--296},
doi = {10.1134/S0021364022100162}
}
Cite this
MLA
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Sukhanova, E.V., et al. “Map of Two-Dimensional Tungsten Chalcogenide Compounds (W–S, W–Se, W–Te) Based on USPEX Evolutionary Search.” JETP Letters, vol. 115, no. 5, Mar. 2022, pp. 292-296. https://doi.org/10.1134/S0021364022100162.