Europhysics Letters, volume 104, issue 1, pages 16005
Pressure-induced polymerization of nitrogen in potassium azides
Publication type: Journal Article
Publication date: 2013-10-01
Journal:
Europhysics Letters
Quartile SCImago
Q2
Quartile WOS
Q3
Impact factor: 1.8
ISSN: 02955075, 12864854
General Physics and Astronomy
Abstract
The phase transition and structural evolution of KN3 are systematically studied using first-principles density functional (DFT) methods and the particle swarm optimization (PSO) structure search algorithm under pressures up to 400 GPa. For the first time, we identify three stable phases with , and structure at pressures of 15.7, 41.4 and 298.6 GPa. The analysis of the crystal structures of three new predicted phases reveals that the transition of N3− ions goes from linear molecules to benzene-like rings and then to polymer chains induced by pressure. The study of atomic and electronic structures of three predicted phases reveals that the structural changes are accompanied and driven by the change of atomic orbital hybridization, first from sp to sp2, and then from sp2 to sp3. Our result provides a new view of the pressure-induced polymerization process of metal azides.
Top-30
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1 publication, 2.5%
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1 publication, 2.5%
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1 publication, 2.5%
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Citations by publishers
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American Chemical Society (ACS)
14 publications, 35%
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8 publications, 20%
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Springer Nature
6 publications, 15%
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3 publications, 7.5%
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Elsevier
3 publications, 7.5%
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3 publications, 7.5%
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Wiley
2 publications, 5%
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 2.5%
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- We do not take into account publications without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Li J. et al. Pressure-induced polymerization of nitrogen in potassium azides // Europhysics Letters. 2013. Vol. 104. No. 1. p. 16005.
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Li J., Wang X., Xu N., LI D., Wang D., Chen L. Pressure-induced polymerization of nitrogen in potassium azides // Europhysics Letters. 2013. Vol. 104. No. 1. p. 16005.
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TY - JOUR
DO - 10.1209/0295-5075/104/16005
UR - https://doi.org/10.1209/0295-5075/104/16005
TI - Pressure-induced polymerization of nitrogen in potassium azides
T2 - Europhysics Letters
AU - Li, Jianfu
AU - Wang, Xiaoli
AU - Xu, Ning
AU - LI, DAOYONG
AU - Wang, Dongchao
AU - Chen, Li-Song
PY - 2013
DA - 2013/10/01 00:00:00
PB - IOP Publishing
SP - 16005
IS - 1
VL - 104
SN - 0295-5075
SN - 1286-4854
ER -
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@article{2013_Li,
author = {Jianfu Li and Xiaoli Wang and Ning Xu and DAOYONG LI and Dongchao Wang and Li-Song Chen},
title = {Pressure-induced polymerization of nitrogen in potassium azides},
journal = {Europhysics Letters},
year = {2013},
volume = {104},
publisher = {IOP Publishing},
month = {oct},
url = {https://doi.org/10.1209/0295-5075/104/16005},
number = {1},
pages = {16005},
doi = {10.1209/0295-5075/104/16005}
}
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MLA
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Li, Jianfu, et al. “Pressure-induced polymerization of nitrogen in potassium azides.” Europhysics Letters, vol. 104, no. 1, Oct. 2013, p. 16005. https://doi.org/10.1209/0295-5075/104/16005.