Prediction of metastable phase of the Sc–N system in the N-rich region under high pressure
Publication type: Journal Article
Publication date: 2023-07-18
scimago Q2
wos Q2
SJR: 0.698
CiteScore: 5.3
Impact factor: 2.9
ISSN: 14639076, 14639084
PubMed ID:
37461814
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
The prediction of the high-pressure structure of the ScNx system enriches the phase diagram of the Sc–N system: three metastable phase structures (P-ScN8, P1-ScN9 and P1-ScN11) are proposed in the N-rich region. These structures have novel polymeric nitrogen structures, and enrich the structural types of polymeric nitrogen under pressure. Interestingly, the P1-ScN11 phase can be quenched to ambient conditions, and release energy at a relatively mild temperature of 800 K. The larger charge transfer plays an important role in the structural stability by inducing the Sc–N ionic bond interaction and N–N covalent bond interaction. The prominent energy properties of P-ScN8, P1-ScN9 and P1-ScN11 make them potential candidates in the application of propellants and explosives.
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7
Total citations:
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Citations from 2024:
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(100%)
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Niu S. et al. Prediction of metastable phase of the Sc–N system in the N-rich region under high pressure // Physical Chemistry Chemical Physics. 2023. Vol. 25. No. 29. pp. 20009-20014.
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Niu S., Liu Y., Yang Z., Liu S., Yao Z. Prediction of metastable phase of the Sc–N system in the N-rich region under high pressure // Physical Chemistry Chemical Physics. 2023. Vol. 25. No. 29. pp. 20009-20014.
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RIS
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TY - JOUR
DO - 10.1039/d3cp00826f
UR - https://xlink.rsc.org/?DOI=D3CP00826F
TI - Prediction of metastable phase of the Sc–N system in the N-rich region under high pressure
T2 - Physical Chemistry Chemical Physics
AU - Niu, Shifeng
AU - Liu, Yuanyuan
AU - Yang, Zhenxing
AU - Liu, Shijie
AU - Yao, Zhen
PY - 2023
DA - 2023/07/18
PB - Royal Society of Chemistry (RSC)
SP - 20009-20014
IS - 29
VL - 25
PMID - 37461814
SN - 1463-9076
SN - 1463-9084
ER -
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BibTex (up to 50 authors)
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@article{2023_Niu,
author = {Shifeng Niu and Yuanyuan Liu and Zhenxing Yang and Shijie Liu and Zhen Yao},
title = {Prediction of metastable phase of the Sc–N system in the N-rich region under high pressure},
journal = {Physical Chemistry Chemical Physics},
year = {2023},
volume = {25},
publisher = {Royal Society of Chemistry (RSC)},
month = {jul},
url = {https://xlink.rsc.org/?DOI=D3CP00826F},
number = {29},
pages = {20009--20014},
doi = {10.1039/d3cp00826f}
}
Cite this
MLA
Copy
Niu, Shifeng, et al. “Prediction of metastable phase of the Sc–N system in the N-rich region under high pressure.” Physical Chemistry Chemical Physics, vol. 25, no. 29, Jul. 2023, pp. 20009-20014. https://xlink.rsc.org/?DOI=D3CP00826F.