volume 22 issue 26 pages 14651-14659

Stability and gas sensing properties of Ta2X3M8(X = Pd, Pt; M = S, Se) nanoribbons: A first-principles investigation

E V Sukhanova 1, 2, 3, 4, 5, 6, 7, 8
Maxim Visotin 9, 10
Maxim A. Visotin 11, 12, 13, 14, 15
Zakhar Popov 1, 3, 4, 5, 6, 7, 16
Pavel B. Sorokin 1, 2, 4, 5, 6, 7, 8
Publication typeJournal Article
Publication date2020-06-02
scimago Q2
wos Q2
SJR0.698
CiteScore5.3
Impact factor2.9
ISSN14639076, 14639084
PubMed ID:  32573623
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
One dimensional Ta2(Pd/Pt)3(S/Se)8 nanoribbons (TPS-NR) are considered as a promising material in nanoelectronics due to their intrinsic semiconducting electronic properties. In this article, we study the stability of TPS-NR by considering their oxidation process. Our calculations showed that the Ta2(Pd/Pt)3Se8 nanoribbons are more environmentally stable than Ta2(Pd/Pt)3S8-NR. We studied the thermodynamics of the formation of monovacancies and their impact on the electronic properties of TPS-NR. Additionally, the sensing properties of environmentally stable Ta2Pd3Se8 nanoribbons were investigated. The observed changes of the electronic structure and transport properties after the adsorption of CO, NH3 and NO2 molecules reveal the mechanisms of possible application of Ta2Pd3Se8 nanoribbons as a gas sensor. The electronic transport properties of the nanoribbons exhibit a notable response to the presence of gas molecules.
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Sukhanova E. V. et al. Stability and gas sensing properties of Ta2X3M8(X = Pd, Pt; M = S, Se) nanoribbons: A first-principles investigation // Physical Chemistry Chemical Physics. 2020. Vol. 22. No. 26. pp. 14651-14659.
GOST all authors (up to 50) Copy
Sukhanova E. V., Visotin M., Visotin M. A., Popov Z., Sorokin P. B. Stability and gas sensing properties of Ta2X3M8(X = Pd, Pt; M = S, Se) nanoribbons: A first-principles investigation // Physical Chemistry Chemical Physics. 2020. Vol. 22. No. 26. pp. 14651-14659.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1039/d0cp01545h
UR - https://xlink.rsc.org/?DOI=D0CP01545H
TI - Stability and gas sensing properties of Ta2X3M8(X = Pd, Pt; M = S, Se) nanoribbons: A first-principles investigation
T2 - Physical Chemistry Chemical Physics
AU - Sukhanova, E V
AU - Visotin, Maxim
AU - Visotin, Maxim A.
AU - Popov, Zakhar
AU - Sorokin, Pavel B.
PY - 2020
DA - 2020/06/02
PB - Royal Society of Chemistry (RSC)
SP - 14651-14659
IS - 26
VL - 22
PMID - 32573623
SN - 1463-9076
SN - 1463-9084
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2020_Sukhanova,
author = {E V Sukhanova and Maxim Visotin and Maxim A. Visotin and Zakhar Popov and Pavel B. Sorokin},
title = {Stability and gas sensing properties of Ta2X3M8(X = Pd, Pt; M = S, Se) nanoribbons: A first-principles investigation},
journal = {Physical Chemistry Chemical Physics},
year = {2020},
volume = {22},
publisher = {Royal Society of Chemistry (RSC)},
month = {jun},
url = {https://xlink.rsc.org/?DOI=D0CP01545H},
number = {26},
pages = {14651--14659},
doi = {10.1039/d0cp01545h}
}
MLA
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MLA Copy
Sukhanova, E. V., et al. “Stability and gas sensing properties of Ta2X3M8(X = Pd, Pt; M = S, Se) nanoribbons: A first-principles investigation.” Physical Chemistry Chemical Physics, vol. 22, no. 26, Jun. 2020, pp. 14651-14659. https://xlink.rsc.org/?DOI=D0CP01545H.