Journal of Chemical Physics, volume 141, issue 4, pages 44717

Polymerization of nitrogen in cesium azide under modest pressure

Xiaoli Wang ^{1, 2, 3}

Jianfu Li ^{1, 4}

Hongyang Zhu ³

Chen Li ¹

Haiqing Lin ²

Hide authors affiliations Show authors affiliations: 4 affiliations

Linyi University 1 Institute of Condensed Matter Physics, , Linyi 276005, People's Republic of China |

Beijing Computational Science Research Center 2 , Beijing 100084, People's Republic of China |

Jilin University 3 State Key Laboratory of Superhard Materials, College of Physics, , Changchun 130012, People's Republic of China |

⁴

City University of Hong Kong 4 Department of Physics and Materials Science, , Hong Kong |

Publication type: Journal Article

Publication date: 2014-07-28

American Institute of Physics (AIP)

Journal: Journal of Chemical Physics

Quartile SCImago

Quartile WOS

Impact factor: 4.4

ISSN: 00219606, 10897690

DOI: 10.1063/1.4891367

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Physical and Theoretical Chemistry

General Physics and Astronomy

Abstract

Alkali metal azides can be used as starting materials in the synthesis of polymeric nitrogen, a potential high-energy-density material. The structural evolutionary behaviors of nitrogen in CsN3 have been studied up to 200 GPa using particle swarm optimization structure search combining with density functional theory. Three stable new phases with C2/m, P21/m, and P-1 structure at pressure of 6, 13, and 51 GPa are identified for the first time. The phase transition to chain like structure (P-1 phase) occurs at a modest pressure 51 GPa, the azide ions N3− (linear chains of three N atoms with covalent bonds and interact weakly with each other) begin to show remarkable polymeric N properties in the CsN3 system. Throughout the stable pressure range, the structure is metallic and consists of N atoms in sp2 hybridizations. Our study completes the structural evolution of CsN3 under pressure and reveals that the introduced Cs atoms are responsible for the decreased synthesis pressure comparing to pure molecular nitrogen under compression.

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Journal of Physical Chemistry C	Journal of Physical Chemistry C, 7, 12.07% Journal of Physical Chemistry C 7 publications, 12.07%
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Scientific Reports	Scientific Reports, 3, 5.17% Scientific Reports 3 publications, 5.17%
Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics, 3, 5.17% Physical Chemistry Chemical Physics 3 publications, 5.17%
Matter and Radiation at Extremes	Matter and Radiation at Extremes, 2, 3.45% Matter and Radiation at Extremes 2 publications, 3.45%
Chinese Physics Letters	Chinese Physics Letters, 2, 3.45% Chinese Physics Letters 2 publications, 3.45%
Solid State Communications	Solid State Communications, 2, 3.45% Solid State Communications 2 publications, 3.45%
ACS Catalysis	ACS Catalysis, 2, 3.45% ACS Catalysis 2 publications, 3.45%
Nature Chemistry	Nature Chemistry, 1, 1.72% Nature Chemistry 1 publication, 1.72%
Applied Physics Letters	Applied Physics Letters, 1, 1.72% Applied Physics Letters 1 publication, 1.72%
Physical Review B	Physical Review B, 1, 1.72% Physical Review B 1 publication, 1.72%
Physical Review Materials	Physical Review Materials, 1, 1.72% Physical Review Materials 1 publication, 1.72%
Modern Physics Letters B	Modern Physics Letters B, 1, 1.72% Modern Physics Letters B 1 publication, 1.72%
Catalysts	Catalysts, 1, 1.72% Catalysts 1 publication, 1.72%
Nature Reviews Chemistry	Nature Reviews Chemistry, 1, 1.72% Nature Reviews Chemistry 1 publication, 1.72%
Journal of Physics Communications	Journal of Physics Communications, 1, 1.72% Journal of Physics Communications 1 publication, 1.72%
Journal of Physics Condensed Matter	Journal of Physics Condensed Matter, 1, 1.72% Journal of Physics Condensed Matter 1 publication, 1.72%
Journal of Alloys and Compounds	Journal of Alloys and Compounds, 1, 1.72% Journal of Alloys and Compounds 1 publication, 1.72%
Journal of Power Sources	Journal of Power Sources, 1, 1.72% Journal of Power Sources 1 publication, 1.72%
Physica Status Solidi (B): Basic Research	Physica Status Solidi (B): Basic Research, 1, 1.72% Physica Status Solidi (B): Basic Research 1 publication, 1.72%
Journal of Raman Spectroscopy	Journal of Raman Spectroscopy, 1, 1.72% Journal of Raman Spectroscopy 1 publication, 1.72%
Journal of Physical Chemistry B	Journal of Physical Chemistry B, 1, 1.72% Journal of Physical Chemistry B 1 publication, 1.72%
Journal of Physical Chemistry Letters	Journal of Physical Chemistry Letters, 1, 1.72% Journal of Physical Chemistry Letters 1 publication, 1.72%
ACS Omega	ACS Omega, 1, 1.72% ACS Omega 1 publication, 1.72%
Materials Advances	Materials Advances, 1, 1.72% Materials Advances 1 publication, 1.72%
Inorganic Chemistry	Inorganic Chemistry, 1, 1.72% Inorganic Chemistry 1 publication, 1.72%
Chemistry of Materials	Chemistry of Materials, 1, 1.72% Chemistry of Materials 1 publication, 1.72%
Journal of Materials Chemistry C	Journal of Materials Chemistry C, 1, 1.72% Journal of Materials Chemistry C 1 publication, 1.72%
Journal of Applied Physics	Journal of Applied Physics, 1, 1.72% Journal of Applied Physics 1 publication, 1.72%
Acta Physica Sinica	Acta Physica Sinica, 1, 1.72% Acta Physica Sinica 1 publication, 1.72%
	1 2 3 4 5 6 7

Citations by publishers

	2 4 6 8 10 12 14
American Chemical Society (ACS)	American Chemical Society (ACS), 14, 24.14% American Chemical Society (ACS) 14 publications, 24.14%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 11, 18.97% Royal Society of Chemistry (RSC) 11 publications, 18.97%
Elsevier	Elsevier, 9, 15.52% Elsevier 9 publications, 15.52%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 6, 10.34% American Institute of Physics (AIP) 6 publications, 10.34%
Springer Nature	Springer Nature, 5, 8.62% Springer Nature 5 publications, 8.62%
IOP Publishing	IOP Publishing, 4, 6.9% IOP Publishing 4 publications, 6.9%
American Physical Society (APS)	American Physical Society (APS), 2, 3.45% American Physical Society (APS) 2 publications, 3.45%
Wiley	Wiley, 2, 3.45% Wiley 2 publications, 3.45%
World Scientific	World Scientific, 1, 1.72% World Scientific 1 publication, 1.72%
Multidisciplinary Digital Publishing Institute (MDPI)	Multidisciplinary Digital Publishing Institute (MDPI), 1, 1.72% Multidisciplinary Digital Publishing Institute (MDPI) 1 publication, 1.72%
Chinese Physical Society	Chinese Physical Society, 1, 1.72% Chinese Physical Society 1 publication, 1.72%
Taylor & Francis	Taylor & Francis, 1, 1.72% Taylor & Francis 1 publication, 1.72%
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii	Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii, 1, 1.72% Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii 1 publication, 1.72%
	2 4 6 8 10 12 14

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Wang X. et al. Polymerization of nitrogen in cesium azide under modest pressure // Journal of Chemical Physics. 2014. Vol. 141. No. 4. p. 44717.

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Wang X., Li J., Zhu H., Chen Li, Lin H. Polymerization of nitrogen in cesium azide under modest pressure // Journal of Chemical Physics. 2014. Vol. 141. No. 4. p. 44717.

RIS |

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TY - JOUR

DO - 10.1063/1.4891367

UR - https://doi.org/10.1063/1.4891367

TI - Polymerization of nitrogen in cesium azide under modest pressure

T2 - Journal of Chemical Physics

AU - Wang, Xiaoli

AU - Li, Jianfu

AU - Zhu, Hongyang

AU - Chen Li

AU - Lin, Haiqing

PY - 2014

DA - 2014/07/28 00:00:00

PB - American Institute of Physics (AIP)

SP - 44717

IS - 4

VL - 141

SN - 0021-9606

SN - 1089-7690

ER -

BibTex |

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BibTex Copy

@article{2014_Wang,

author = {Xiaoli Wang and Jianfu Li and Hongyang Zhu and Chen Li and Haiqing Lin},

title = {Polymerization of nitrogen in cesium azide under modest pressure},

journal = {Journal of Chemical Physics},

year = {2014},

volume = {141},

publisher = {American Institute of Physics (AIP)},

month = {jul},

url = {https://doi.org/10.1063/1.4891367},

number = {4},

pages = {44717},

doi = {10.1063/1.4891367}

}

MLA

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MLA Copy

Wang, Xiaoli, et al. “Polymerization of nitrogen in cesium azide under modest pressure.” Journal of Chemical Physics, vol. 141, no. 4, Jul. 2014, p. 44717. https://doi.org/10.1063/1.4891367.

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American Institute of Physics (AIP)

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Journal of Chemical Physics

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Quartile WOS

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4.4

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00219606 (Print)
10897690 (Electronic)