Physics Letters, Section A: General, Atomic and Solid State Physics, volume 383, issue 28, pages 125859
Nitrogen-rich GaN5 and GaN6 as high energy density materials with modest synthesis condition
Publication type: Journal Article
Publication date: 2019-10-01
Quartile SCImago
Q2
Quartile WOS
Q3
Impact factor: 2.6
ISSN: 03759601
General Physics and Astronomy
Abstract
Here, the energetic gallium nitrides with the network and zigzag poly-nitrogen configurations at modest pressures have been predicted. The nitrogen-rich Cmc21-GaN5, high-pressure P21/m-GaN5 and C2/c-GaN6 phases can release higher energy of ∼3.27 kJ g−1, 4.12 kJ g−1, 5.71 kJ g−1, respectively, which are close to or even higher than that of the traditional high energy density materials TNT and possess distinguished detonation performance simulated. The predicted synthesis pressures of GaN5 and GaN6 (25 and 50 GPa) are much lower than that of the famous atomic cg-N. The VSEPR theory and Zintl-Klemm concept are employed to reasonably explain the bonding properties of N-N bonds in locally environments. High pressures modulate the electron transfer between the different orbits and further induce higher energy density. The conjugation effect of π electrons in planar polymeric nitrogen chains is the main reason for the metallization of gallium nitrides.
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Citations by publishers
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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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Liu Z. et al. Nitrogen-rich GaN5 and GaN6 as high energy density materials with modest synthesis condition // Physics Letters, Section A: General, Atomic and Solid State Physics. 2019. Vol. 383. No. 28. p. 125859.
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Liu Z., Li D., Wei S., Liu Y., Tian F., Duan D., Tian C. Nitrogen-rich GaN5 and GaN6 as high energy density materials with modest synthesis condition // Physics Letters, Section A: General, Atomic and Solid State Physics. 2019. Vol. 383. No. 28. p. 125859.
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TY - JOUR
DO - 10.1016/j.physleta.2019.125859
UR - https://doi.org/10.1016/j.physleta.2019.125859
TI - Nitrogen-rich GaN5 and GaN6 as high energy density materials with modest synthesis condition
T2 - Physics Letters, Section A: General, Atomic and Solid State Physics
AU - Liu, Zhao
AU - Li, Da
AU - Wei, Shuli
AU - Liu, Yan
AU - Tian, Fubo
AU - Duan, Defang
AU - Tian, Cui
PY - 2019
DA - 2019/10/01 00:00:00
PB - Elsevier
SP - 125859
IS - 28
VL - 383
SN - 0375-9601
ER -
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@article{2019_Liu,
author = {Zhao Liu and Da Li and Shuli Wei and Yan Liu and Fubo Tian and Defang Duan and Cui Tian},
title = {Nitrogen-rich GaN5 and GaN6 as high energy density materials with modest synthesis condition},
journal = {Physics Letters, Section A: General, Atomic and Solid State Physics},
year = {2019},
volume = {383},
publisher = {Elsevier},
month = {oct},
url = {https://doi.org/10.1016/j.physleta.2019.125859},
number = {28},
pages = {125859},
doi = {10.1016/j.physleta.2019.125859}
}
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Liu, Zhao, et al. “Nitrogen-rich GaN5 and GaN6 as high energy density materials with modest synthesis condition.” Physics Letters, Section A: General, Atomic and Solid State Physics, vol. 383, no. 28, Oct. 2019, p. 125859. https://doi.org/10.1016/j.physleta.2019.125859.