Inorganic Chemistry, volume 56, issue 13, pages 7494-7500
Bonding Properties of Aluminum Nitride at High Pressure.
Zhao Liu
1
,
Da Li
1
,
Shuli Wei
1
,
Wenjie Wang
1
,
Fubo Tian
1
,
Kuo Bao
1
,
Defang Duan
1
,
Yu Hou
1
,
Bingbing Liu
1
,
Tian Cui
1
Publication type: Journal Article
Publication date: 2017-06-16
Journal:
Inorganic Chemistry
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 4.6
ISSN: 00201669, 1520510X
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
Exploring the bonding properties and polymerization mechanism of stable polymeric nitrogen phases is the main goal of our high-pressure study. The pressure versus composition phase diagram of the Al-N system is established. In addition to the known Fm3̅m phase of AlN, a notable monoclinic phase with N66- anion polymeric nitrogen chains for AlN3 in the pressure range from 43 to 85 GPa is predicted. Its energy density is up to 2.75 kJ·g-1, and the weight ratio of nitrogen is nearly 61%, which make it potentially interesting for the industrial applications as a high energy density material. The high-pressure studies of atomic and electronic structures in this predicted phase reveal that the formation of N66- anion is driven by the sp2 hybridization of nitrogen atoms. The resonance effect between alternating π-bonds and σ-bonds in polymeric nitrogen chains are all responsible for the structural stability. Because of the electrons transfer from aluminums to polymeric nitrogen chains, there is a pseudogap in the electronic structures of AlN3. The N_p electrons form π-type chemical bonds with the neighboring atoms, resulting in the delocalization of π electrons and charge transfer in polymeric nitrogen chains. Furthermore, disparities of charge density distribution between nitrogen atoms in polymeric nitrogen chains are the principal reason for the metallicity.
Top-30
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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1 publication, 2.63%
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Citations by publishers
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9
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American Chemical Society (ACS)
9 publications, 23.68%
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Royal Society of Chemistry (RSC)
8 publications, 21.05%
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Elsevier
7 publications, 18.42%
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IOP Publishing
4 publications, 10.53%
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American Institute of Physics (AIP)
3 publications, 7.89%
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Springer Nature
2 publications, 5.26%
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World Scientific
1 publication, 2.63%
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Trans Tech Publications
1 publication, 2.63%
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American Physical Society (APS)
1 publication, 2.63%
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 2.63%
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1
2
3
4
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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Liu Z. et al. Bonding Properties of Aluminum Nitride at High Pressure. // Inorganic Chemistry. 2017. Vol. 56. No. 13. pp. 7494-7500.
GOST all authors (up to 50)
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Liu Z., Li D., Wei S., Wang W., Tian F., Bao K., Duan D., Hou Yu., Liu B., Cui T. Bonding Properties of Aluminum Nitride at High Pressure. // Inorganic Chemistry. 2017. Vol. 56. No. 13. pp. 7494-7500.
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TY - JOUR
DO - 10.1021/acs.inorgchem.7b00980
UR - https://doi.org/10.1021/acs.inorgchem.7b00980
TI - Bonding Properties of Aluminum Nitride at High Pressure.
T2 - Inorganic Chemistry
AU - Wei, Shuli
AU - Wang, Wenjie
AU - Bao, Kuo
AU - Cui, Tian
AU - Liu, Zhao
AU - Li, Da
AU - Tian, Fubo
AU - Duan, Defang
AU - Hou, Yu
AU - Liu, Bingbing
PY - 2017
DA - 2017/06/16 00:00:00
PB - American Chemical Society (ACS)
SP - 7494-7500
IS - 13
VL - 56
SN - 0020-1669
SN - 1520-510X
ER -
Cite this
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@article{2017_Liu,
author = {Shuli Wei and Wenjie Wang and Kuo Bao and Tian Cui and Zhao Liu and Da Li and Fubo Tian and Defang Duan and Yu Hou and Bingbing Liu},
title = {Bonding Properties of Aluminum Nitride at High Pressure.},
journal = {Inorganic Chemistry},
year = {2017},
volume = {56},
publisher = {American Chemical Society (ACS)},
month = {jun},
url = {https://doi.org/10.1021/acs.inorgchem.7b00980},
number = {13},
pages = {7494--7500},
doi = {10.1021/acs.inorgchem.7b00980}
}
Cite this
MLA
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Liu, Zhao, et al. “Bonding Properties of Aluminum Nitride at High Pressure..” Inorganic Chemistry, vol. 56, no. 13, Jun. 2017, pp. 7494-7500. https://doi.org/10.1021/acs.inorgchem.7b00980.
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