Chinese Journal of Physics, volume 86, pages 66-74
Interception of chain shape Ce nitrides at ambient conditions
3
Jilin Institute of Architecture and Technology, Basic Science Department, Changchun, Jilin 130000, China
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Publication type: Journal Article
Publication date: 2023-12-01
Journal:
Chinese Journal of Physics
Quartile SCImago
Q2
Quartile WOS
Q1
Impact factor: 5
ISSN: 05779073
General Physics and Astronomy
Abstract
A high-pressure study of the CeN5 compounds is performed by the crystal structure search method in combination with the first principle calculations. Four new phases C2-CeN5, P-1-CeN5, P2/c-CeN5, and P21/m-CeN5 were predicted at 0, 20, 50, and 100 GPa, respectively. The analysis of stability shows that C2-CeN5, P-1-CeN5, and P21/m-CeN5 can be quenched to ambient conditions. The stabilization mechanism of Ce nitrides is clarified by the analysis of electronic structures. The phase transformation of CeN5 with the pressure is revealed by the enthalpy difference analysis. P2/c-CeN5 and P21/m-CeN5 with polymeric N-chains not only exhibit high energy densities (8.67 and 9.37 kJ/cm3), but also outstanding detonation velocities (11.43 and 12.10 km/s) and detonation pressures (90.39 and 102.82 GPa).
Top-30
Citations by journals
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Russian Chemical Reviews
1 publication, 100%
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Citations by publishers
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 100%
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Yuan Q. et al. Interception of chain shape Ce nitrides at ambient conditions // Chinese Journal of Physics. 2023. Vol. 86. pp. 66-74.
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Yuan Q., XU C., Wang Y., Li Y. I., Fu J., Yao Z. Interception of chain shape Ce nitrides at ambient conditions // Chinese Journal of Physics. 2023. Vol. 86. pp. 66-74.
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TY - JOUR
DO - 10.1016/j.cjph.2023.08.019
UR - https://doi.org/10.1016/j.cjph.2023.08.019
TI - Interception of chain shape Ce nitrides at ambient conditions
T2 - Chinese Journal of Physics
AU - Yuan, Quan
AU - XU, CUI-YAN
AU - Wang, Yuanyuan
AU - Li, Yang I
AU - Fu, Jing
AU - Yao, Zhen
PY - 2023
DA - 2023/12/01 00:00:00
PB - Elsevier
SP - 66-74
VL - 86
SN - 0577-9073
ER -
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@article{2023_Yuan,
author = {Quan Yuan and CUI-YAN XU and Yuanyuan Wang and Yang I Li and Jing Fu and Zhen Yao},
title = {Interception of chain shape Ce nitrides at ambient conditions},
journal = {Chinese Journal of Physics},
year = {2023},
volume = {86},
publisher = {Elsevier},
month = {dec},
url = {https://doi.org/10.1016/j.cjph.2023.08.019},
pages = {66--74},
doi = {10.1016/j.cjph.2023.08.019}
}