Physical Chemistry Chemical Physics, volume 21, issue 22, pages 12029-12035
Metallic and anti-metallic properties of strongly covalently bonded energetic AlN5 nitrides.
Publication type: Journal Article
Publication date: 2019-05-16
Journal:
Physical Chemistry Chemical Physics
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor: 3.3
ISSN: 14639076, 14639084
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
High pressure can stimulate numerous novel physical effects which are not observed under ambient conditions, such as the electronic redistribution and delocalization phenomenon in strongly covalently bonded nitrides. Through first principles simulations, we report a new N-rich aluminum nitride AlN5, which crystallizes with the space group P1[combining macron] at 20 GPa and then transforms into the I4[combining macron]2d phase at 60 GPa. We have identified and proved the delocalization effects of π electrons in the strongly covalent Lewis poly-nitrogen structure via the one-dimensional particle in a box mechanism, which contributes to the metallization and stability of the system. This implies that not all strongly covalently bonded systems with highly localized electrons exhibit nonmetallic properties in III-V main group nitrides. Furthermore, pressure results in the hybridization configuration mutation from sp2 in the P1[combining macron] phase to a mixture of sp2 and sp3 hybridization in the I4[combining macron]2d phase, which leads to phase transition from metal to insulator. With increasing pressure, the band gap increases abnormally, exhibiting anti-metallization induced by the strong hybridization. Interestingly, the P1[combining macron] and I4[combining macron]2d structures are simultaneously accompanied by a high energy density and hardness, which enable them to have a greater ability to resist elasticity, plastic deformation and external force destruction in potential applications. Their energy density and hardness are up to 3.29 kJ g-1 and 15.2 GPa in the P1[combining macron] phase but especially 6.14 kJ g-1 and 31.7 GPa in the I4[combining macron]2d phase.
Top-30
Citations by journals
|
1
2
3
|
|
|
Physical Chemistry Chemical Physics
3 publications, 14.29%
|
|
|
Matter and Radiation at Extremes
2 publications, 9.52%
|
|
|
Journal of Physics Condensed Matter
2 publications, 9.52%
|
|
|
Inorganic Chemistry
2 publications, 9.52%
|
|
|
Chinese Journal of Physics
2 publications, 9.52%
|
|
|
Physical Review Letters
1 publication, 4.76%
|
|
|
Physical Review B
1 publication, 4.76%
|
|
|
Communications Chemistry
1 publication, 4.76%
|
|
|
Solid State Communications
1 publication, 4.76%
|
|
|
Fundamental Research
1 publication, 4.76%
|
|
|
Crystal Growth and Design
1 publication, 4.76%
|
|
|
Journal of Physical Chemistry C
1 publication, 4.76%
|
|
|
Chinese Physics B
1 publication, 4.76%
|
|
|
Russian Chemical Reviews
1 publication, 4.76%
|
|
|
1
2
3
|
Citations by publishers
|
1
2
3
4
|
|
|
Elsevier
4 publications, 19.05%
|
|
|
American Chemical Society (ACS)
4 publications, 19.05%
|
|
|
IOP Publishing
3 publications, 14.29%
|
|
|
Royal Society of Chemistry (RSC)
3 publications, 14.29%
|
|
|
American Physical Society (APS)
2 publications, 9.52%
|
|
|
American Institute of Physics (AIP)
2 publications, 9.52%
|
|
|
Springer Nature
1 publication, 4.76%
|
|
|
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 4.76%
|
|
|
1
2
3
4
|
- 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.
{"yearsCitations":{"type":"bar","data":{"show":true,"labels":[2020,2021,2022,2023,2024],"ids":[0,0,0,0,0],"codes":[0,0,0,0,0],"imageUrls":["","","","",""],"datasets":[{"label":"Citations number","data":[3,5,6,5,2],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":["14.29","23.81","28.57","23.81","9.52"],"barThickness":null}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"journals":{"type":"bar","data":{"show":true,"labels":["Physical Chemistry Chemical Physics","Matter and Radiation at Extremes","Journal of Physics Condensed Matter","Inorganic Chemistry","Chinese Journal of Physics","Physical Review Letters","Physical Review B","Communications Chemistry","Solid State Communications","Fundamental Research","Crystal Growth and Design","Journal of Physical Chemistry C","Chinese Physics B","Russian Chemical Reviews"],"ids":[1773,23140,4579,24714,7929,4343,25280,1368,13041,27258,12522,8859,6895,23802],"codes":[0,0,0,0,0,0,0,0,0,0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/ARM4e6URKRsbRZvIF0vFis9DjxGloBjnBYJXbHmZ_medium.webp","\/storage\/images\/resized\/LsKy6OnmmmRGcAU6CZgWQvNiP1polbaSLNrN7zqj_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/nrK64iXHTzj43wMrfN1ZoUQ0vanswGzWPN45K3jA_medium.webp","\/storage\/images\/resized\/nrK64iXHTzj43wMrfN1ZoUQ0vanswGzWPN45K3jA_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/LsKy6OnmmmRGcAU6CZgWQvNiP1polbaSLNrN7zqj_medium.webp","\/storage\/images\/resized\/9Mus3KG1Tkd7Bwaurt8H3RwWh0CxRlGoO6ng9UK1_medium.webp"],"datasets":[{"label":"","data":[3,2,2,2,2,1,1,1,1,1,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[14.29,9.52,9.52,9.52,9.52,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76,4.76],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Journals","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"publishers":{"type":"bar","data":{"show":true,"labels":["Elsevier","American Chemical Society (ACS)","IOP Publishing","Royal Society of Chemistry (RSC)","American Physical Society (APS)","American Institute of Physics (AIP)","Springer Nature","Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii"],"ids":[17,40,2075,123,1539,250,8,9422],"codes":[0,0,0,0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/LsKy6OnmmmRGcAU6CZgWQvNiP1polbaSLNrN7zqj_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/nrK64iXHTzj43wMrfN1ZoUQ0vanswGzWPN45K3jA_medium.webp","\/storage\/images\/resized\/ARM4e6URKRsbRZvIF0vFis9DjxGloBjnBYJXbHmZ_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/9Mus3KG1Tkd7Bwaurt8H3RwWh0CxRlGoO6ng9UK1_medium.webp"],"datasets":[{"label":"","data":[4,4,3,3,2,2,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[19.05,19.05,14.29,14.29,9.52,9.52,4.76,4.76],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":false}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Publishers","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"yearsCitationsQuartiles":{"type":"bar","data":{"show":true,"labels":[2020,2021,2022,2023,2024],"ids":[],"codes":[],"imageUrls":[],"datasets":[{"label":"Q4","backgroundColor":"rgb(221,90,78)","data":[0,0,0,0,0],"percentage":["0","0","0","0","0"]},{"label":"Q3","backgroundColor":"rgb(251, 163,83)","data":[0,0,0,1,0],"percentage":["0","0","0","4.76","0"]},{"label":"Q2","backgroundColor":"rgb(232, 213, 89)","data":[1,1,2,1,1],"percentage":["4.76","4.76","9.52","4.76","4.76"]},{"label":"Q1","backgroundColor":"rgb(164, 207, 99)","data":[2,4,4,2,1],"percentage":["9.52","19.05","19.05","9.52","4.76"]},{"label":"Quartile not defined","backgroundColor":"#E5E7EB","data":[0,0,0,1,0],"percentage":["0","0","0","4.76","0"]}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":true},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":true}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations quartiles by SCImago per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"yearsCitationsQuartilesWs":{"type":"bar","data":{"show":true,"labels":[2020,2021,2022,2023,2024],"ids":[],"codes":[],"imageUrls":[],"datasets":[{"label":"Q4","backgroundColor":"rgb(221,90,78)","data":[0,0,0,0,0],"percentage":["0","0","0","0","0"]},{"label":"Q3","backgroundColor":"rgb(251, 163,83)","data":[0,1,2,1,0],"percentage":["0","4.76","9.52","4.76","0"]},{"label":"Q2","backgroundColor":"rgb(232, 213, 89)","data":[1,3,2,0,0],"percentage":["4.76","14.29","9.52","0","0"]},{"label":"Q1","backgroundColor":"rgb(164, 207, 99)","data":[2,1,1,3,2],"percentage":["9.52","4.76","4.76","14.29","9.52"]},{"label":"Quartile not defined","backgroundColor":"#E5E7EB","data":[0,0,1,1,0],"percentage":["0","0","4.76","4.76","0"]}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":true},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"},"stacked":true}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations quartiles by WoS per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}}}
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Liu Z. et al. Metallic and anti-metallic properties of strongly covalently bonded energetic AlN5 nitrides. // Physical Chemistry Chemical Physics. 2019. Vol. 21. No. 22. pp. 12029-12035.
GOST all authors (up to 50)
Copy
Liu Z., Li D., Liu Y., Cui T., Tian F., Duan D. Metallic and anti-metallic properties of strongly covalently bonded energetic AlN5 nitrides. // Physical Chemistry Chemical Physics. 2019. Vol. 21. No. 22. pp. 12029-12035.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1039/C9CP01723B
UR - https://doi.org/10.1039/C9CP01723B
TI - Metallic and anti-metallic properties of strongly covalently bonded energetic AlN5 nitrides.
T2 - Physical Chemistry Chemical Physics
AU - Li, Da
AU - Cui, Tian
AU - Liu, Zhao
AU - Liu, Yan
AU - Tian, Fubo
AU - Duan, Defang
PY - 2019
DA - 2019/05/16 00:00:00
PB - Royal Society of Chemistry (RSC)
SP - 12029-12035
IS - 22
VL - 21
SN - 1463-9076
SN - 1463-9084
ER -
Cite this
BibTex
Copy
@article{2019_Liu,
author = {Da Li and Tian Cui and Zhao Liu and Yan Liu and Fubo Tian and Defang Duan},
title = {Metallic and anti-metallic properties of strongly covalently bonded energetic AlN5 nitrides.},
journal = {Physical Chemistry Chemical Physics},
year = {2019},
volume = {21},
publisher = {Royal Society of Chemistry (RSC)},
month = {may},
url = {https://doi.org/10.1039/C9CP01723B},
number = {22},
pages = {12029--12035},
doi = {10.1039/C9CP01723B}
}
Cite this
MLA
Copy
Liu, Zhao, et al. “Metallic and anti-metallic properties of strongly covalently bonded energetic AlN5 nitrides..” Physical Chemistry Chemical Physics, vol. 21, no. 22, May. 2019, pp. 12029-12035. https://doi.org/10.1039/C9CP01723B.
Profiles