Sodium pentazolate: A nitrogen rich high energy density material
Publication type: Journal Article
Publication date: 2016-01-01
scimago Q2
wos Q2
SJR: 0.546
CiteScore: 5.9
Impact factor: 3.1
ISSN: 00092614, 18734448
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
Sodium pentazolates NaN5 andNa2N5, new high energy density materials, are discovered during first principles crystal structure search for the compounds of varying amounts of elemental sodium and nitrogen. The pentazole anion N5- is stabilized in the condensed phase by sodium Na+ cations at pressures exceeding 20 GPa, and becomes metastable upon release of pressure. The sodium azide (NaN3) precursor is predicted to undergo a chemical transformation above 50 GPa into sodium pentazolates NaN5 and Na2N5. The calculated Raman spectrum of NaN5 is in agreement with the experimental Raman spectrum of a previously unidentified substance appearing upon compression and heating of NaN3.
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135
Total citations:
135
Citations from 2024:
31
(22.96%)
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Steele B. A., Oleynik I. Sodium pentazolate: A nitrogen rich high energy density material // Chemical Physics Letters. 2016. Vol. 643. pp. 21-26.
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Steele B. A., Oleynik I. Sodium pentazolate: A nitrogen rich high energy density material // Chemical Physics Letters. 2016. Vol. 643. pp. 21-26.
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TY - JOUR
DO - 10.1016/j.cplett.2015.11.008
UR - https://doi.org/10.1016/j.cplett.2015.11.008
TI - Sodium pentazolate: A nitrogen rich high energy density material
T2 - Chemical Physics Letters
AU - Steele, Brad A.
AU - Oleynik, I.I.
PY - 2016
DA - 2016/01/01
PB - Elsevier
SP - 21-26
VL - 643
SN - 0009-2614
SN - 1873-4448
ER -
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@article{2016_Steele,
author = {Brad A. Steele and I.I. Oleynik},
title = {Sodium pentazolate: A nitrogen rich high energy density material},
journal = {Chemical Physics Letters},
year = {2016},
volume = {643},
publisher = {Elsevier},
month = {jan},
url = {https://doi.org/10.1016/j.cplett.2015.11.008},
pages = {21--26},
doi = {10.1016/j.cplett.2015.11.008}
}