JETP Letters, volume 115, issue 5, pages 292-296

Map of Two-Dimensional Tungsten Chalcogenide Compounds (W–S, W–Se, W–Te) Based on USPEX Evolutionary Search

Publication typeJournal Article
Publication date2022-03-01
Journal: JETP Letters
Quartile SCImago
Q2
Quartile WOS
Q4
Impact factor1.3
ISSN00213640, 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.
GOST all authors (up to 50) Copy
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.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1134/S0021364022100162
UR - https://doi.org/10.1134%2FS0021364022100162
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 00:00:00
PB - Pleiades Publishing
SP - 292-296
IS - 5
VL - 115
SN - 0021-3640
SN - 1090-6487
ER -
BibTex |
Cite this
BibTex Copy
@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%2FS0021364022100162},
number = {5},
pages = {292--296},
doi = {10.1134/S0021364022100162}
}
MLA
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MLA Copy
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%2FS0021364022100162.
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