Chinese Physics Letters, volume 38, issue 6, pages 66201

New Members of High-Energy-Density Compounds: YN5 and YN8

Publication typeJournal Article
Publication date2021-06-01
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor3.5
ISSN0256307X, 17413540
General Physics and Astronomy
Abstract

Polymeric nitrogen is a promising candidate for a high-energy-density material. Synthesis of energetic compounds with high chemical stability under ambient conditions is still a challenging problem. Here we report a theoretical study on yttrium nitrides by first principles calculations combined with an effective crystal structure search method. It is found that many yttrium nitrides with high nitrogen content can be formed under relatively moderate pressures. The results indicate that the nitrogen-rich YN5 and YN8 compounds are recoverable as metastable high-energy materials under ambient conditions, and can release enormous energies (2.51 kJ·g−1 and 3.18 kJ·g−1) while decomposing to molecular nitrogen and YN. Our findings enrich the family of transition metal nitrides, and open avenues for design and synthesis of novel high-energy-density materials.

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GOST |
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GOST Copy
Miao J. et al. New Members of High-Energy-Density Compounds: YN5 and YN8 // Chinese Physics Letters. 2021. Vol. 38. No. 6. p. 66201.
GOST all authors (up to 50) Copy
Miao J., Lu Z. S., Feng P., Lu C. New Members of High-Energy-Density Compounds: YN5 and YN8 // Chinese Physics Letters. 2021. Vol. 38. No. 6. p. 66201.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1088/0256-307X/38/6/066201
UR - https://doi.org/10.1088/0256-307X/38/6/066201
TI - New Members of High-Energy-Density Compounds: YN5 and YN8
T2 - Chinese Physics Letters
AU - Miao, Jun-Yi
AU - Lu, Zhan Sheng
AU - Feng, Peng
AU - Lu, Cheng
PY - 2021
DA - 2021/06/01 00:00:00
PB - IOP Publishing
SP - 66201
IS - 6
VL - 38
SN - 0256-307X
SN - 1741-3540
ER -
BibTex |
Cite this
BibTex Copy
@article{2021_Miao,
author = {Jun-Yi Miao and Zhan Sheng Lu and Peng Feng and Cheng Lu},
title = {New Members of High-Energy-Density Compounds: YN5 and YN8},
journal = {Chinese Physics Letters},
year = {2021},
volume = {38},
publisher = {IOP Publishing},
month = {jun},
url = {https://doi.org/10.1088/0256-307X/38/6/066201},
number = {6},
pages = {66201},
doi = {10.1088/0256-307X/38/6/066201}
}
MLA
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MLA Copy
Miao, Jun-Yi, et al. “New Members of High-Energy-Density Compounds: YN5 and YN8.” Chinese Physics Letters, vol. 38, no. 6, Jun. 2021, p. 66201. https://doi.org/10.1088/0256-307X/38/6/066201.
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