International Journal of Hydrogen Energy, volume 48, issue 38, pages 14226-14237

Novel Janus 2D structures of XMoY (X, Y = O, S, Se, Te) composition for solar hydrogen production

Publication typeJournal Article
Publication date2023-05-01
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor7.2
ISSN03603199
Condensed Matter Physics
Energy Engineering and Power Technology
Fuel Technology
Renewable Energy, Sustainability and the Environment
Abstract
The successful fabrication of H-phase Janus transition metal dichalcogenides (TMDs) has received considerable interest due to its great potential in photocatalytic applications. Here, new A′-XMoY (X/Y = O, S, Se, Te) Janus-type structures belonging to the family of TMDs were theoretically investigated for the first time in terms of photocatalytic water splitting via DFT calculations. For all compounds, the Raman spectra were calculated. The SMoO, SeMoO, SMoSe, SMoTe and SeMoTe compounds are dynamically stable and are semiconductors. Among all considered structures SMoTe is the most promising candidate for solar hydrogen production because valence and conduction bands perfectly engulf the redox potentials of water at both neutral and acidic media, opposite to SMoSe, SMoO, SeMoO suitable only in the acidic media, and SeMoTe – in the neutral media. Moreover, A′-SMoTe demonstrates the outstanding values of the solar-to-hydrogen (STH) conversion efficiencies of 54.0 and 67.1 for neutral and acidic media.

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GOST |
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GOST Copy
Sukhanova E. V. et al. Novel Janus 2D structures of XMoY (X, Y = O, S, Se, Te) composition for solar hydrogen production // International Journal of Hydrogen Energy. 2023. Vol. 48. No. 38. pp. 14226-14237.
GOST all authors (up to 50) Copy
Sukhanova E. V., Sagatov N., Oreshonkov A. S., Gavryushkin P. N., Popov Z. Novel Janus 2D structures of XMoY (X, Y = O, S, Se, Te) composition for solar hydrogen production // International Journal of Hydrogen Energy. 2023. Vol. 48. No. 38. pp. 14226-14237.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1016/j.ijhydene.2022.12.286
UR - https://doi.org/10.1016%2Fj.ijhydene.2022.12.286
TI - Novel Janus 2D structures of XMoY (X, Y = O, S, Se, Te) composition for solar hydrogen production
T2 - International Journal of Hydrogen Energy
AU - Sukhanova, E V
AU - Sagatov, Nursultan
AU - Oreshonkov, Aleksandr S.
AU - Gavryushkin, P. N.
AU - Popov, Zakhar
PY - 2023
DA - 2023/05/01 00:00:00
PB - Elsevier
SP - 14226-14237
IS - 38
VL - 48
SN - 0360-3199
ER -
BibTex |
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BibTex Copy
@article{2023_Sukhanova,
author = {E V Sukhanova and Nursultan Sagatov and Aleksandr S. Oreshonkov and P. N. Gavryushkin and Zakhar Popov},
title = {Novel Janus 2D structures of XMoY (X, Y = O, S, Se, Te) composition for solar hydrogen production},
journal = {International Journal of Hydrogen Energy},
year = {2023},
volume = {48},
publisher = {Elsevier},
month = {may},
url = {https://doi.org/10.1016%2Fj.ijhydene.2022.12.286},
number = {38},
pages = {14226--14237},
doi = {10.1016/j.ijhydene.2022.12.286}
}
MLA
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MLA Copy
Sukhanova, E. V., et al. “Novel Janus 2D structures of XMoY (X, Y = O, S, Se, Te) composition for solar hydrogen production.” International Journal of Hydrogen Energy, vol. 48, no. 38, May. 2023, pp. 14226-14237. https://doi.org/10.1016%2Fj.ijhydene.2022.12.286.
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