Open Access
Matter and Radiation at Extremes, volume 8, issue 3
Cerium-promoted conversion of dinitrogen into high-energy-density material CeN6 under moderate pressure
Wang Yuanyuan
1
,
Zhihui Li
1
,
Shifeng Niu
2
,
Wen Cai Yi
3
,
Shuang Liu
1
,
Zhen Yao
1
,
Bingbing Liu
1
Publication type: Journal Article
Publication date: 2023-04-20
Journal:
Matter and Radiation at Extremes
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 5.1
ISSN: 24682047, 2468080X
Atomic and Molecular Physics, and Optics
Electrical and Electronic Engineering
Nuclear and High Energy Physics
Nuclear Energy and Engineering
Abstract
Synthesis pressure and structural stability are two crucial factors for highly energetic materials, and recent investigations have indicated that cerium is an efficient catalyst for N2 reduction reactions. Here, we systematically explore Ce–N compounds through first-principles calculations, demonstrating that the cerium atom can weaken the strength of the N≡N bond and that a rich variety of cerium polynitrides can be formed under moderate pressure. Significantly, P1̄-CeN6 possesses the lowest synthesis pressure of 32 GPa among layered metal polynitrides owing to the strong ligand effect of cerium. The layered structure of P1̄-CeN6 proposed here consists of novel N14 ring. To clarify the formation mechanism of P1̄-CeN6, the reaction path Ce + 3N2 → trans-CeN6 → P1̄-CeN6 is proposed. In addition, P1̄-CeN6 possesses high hardness (20.73 GPa) and can be quenched to ambient conditions. Charge transfer between cerium atoms and N14 rings plays a crucial role in structural stability. Furthermore, the volumetric energy density (11.20 kJ/cm3) of P1̄-CeN6 is much larger than that of TNT (7.05 kJ/cm3), and its detonation pressure (128.95 GPa) and detonation velocity (13.60 km/s) are respectively about seven times and twice those of TNT, and it is therefore a promising high-energy-density material.
Top-30
Citations by journals
|
1
2
|
|
|
Physical Chemistry Chemical Physics
2 publications, 28.57%
|
|
|
Inorganic Chemistry
1 publication, 14.29%
|
|
|
Journal of Chemical Physics
1 publication, 14.29%
|
|
|
Journal of Materials Chemistry C
1 publication, 14.29%
|
|
|
Advanced Materials
1 publication, 14.29%
|
|
|
Russian Chemical Reviews
1 publication, 14.29%
|
|
|
1
2
|
Citations by publishers
|
1
2
3
|
|
|
Royal Society of Chemistry (RSC)
3 publications, 42.86%
|
|
|
American Chemical Society (ACS)
1 publication, 14.29%
|
|
|
American Institute of Physics (AIP)
1 publication, 14.29%
|
|
|
Wiley
1 publication, 14.29%
|
|
|
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 14.29%
|
|
|
1
2
3
|
- 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":[2023,2024],"ids":[0,0],"codes":[0,0],"imageUrls":["",""],"datasets":[{"label":"Citations number","data":[2,5],"backgroundColor":["#3B82F6","#3B82F6"],"percentage":["28.57","71.43"],"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","Inorganic Chemistry","Journal of Chemical Physics","Journal of Materials Chemistry C","Advanced Materials","Russian Chemical Reviews"],"ids":[1773,24714,544,3848,25159,23802],"codes":[0,0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/ARM4e6URKRsbRZvIF0vFis9DjxGloBjnBYJXbHmZ_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/9Mus3KG1Tkd7Bwaurt8H3RwWh0CxRlGoO6ng9UK1_medium.webp"],"datasets":[{"label":"","data":[2,1,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[28.57,14.29,14.29,14.29,14.29,14.29],"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":["Royal Society of Chemistry (RSC)","American Chemical Society (ACS)","American Institute of Physics (AIP)","Wiley","Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii"],"ids":[123,40,250,11,9422],"codes":[0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/ARM4e6URKRsbRZvIF0vFis9DjxGloBjnBYJXbHmZ_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/9Mus3KG1Tkd7Bwaurt8H3RwWh0CxRlGoO6ng9UK1_medium.webp"],"datasets":[{"label":"","data":[3,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[42.86,14.29,14.29,14.29,14.29],"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":[2023,2024],"ids":[],"codes":[],"imageUrls":[],"datasets":[{"label":"Q4","backgroundColor":"rgb(221,90,78)","data":[0,0],"percentage":["0","0"]},{"label":"Q3","backgroundColor":"rgb(251, 163,83)","data":[0,0],"percentage":["0","0"]},{"label":"Q2","backgroundColor":"rgb(232, 213, 89)","data":[0,0],"percentage":["0","0"]},{"label":"Q1","backgroundColor":"rgb(164, 207, 99)","data":[2,5],"percentage":["28.57","71.43"]},{"label":"Quartile not defined","backgroundColor":"#E5E7EB","data":[0,0],"percentage":["0","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":[2023,2024],"ids":[],"codes":[],"imageUrls":[],"datasets":[{"label":"Q4","backgroundColor":"rgb(221,90,78)","data":[0,0],"percentage":["0","0"]},{"label":"Q3","backgroundColor":"rgb(251, 163,83)","data":[0,0],"percentage":["0","0"]},{"label":"Q2","backgroundColor":"rgb(232, 213, 89)","data":[0,2],"percentage":["0","28.57"]},{"label":"Q1","backgroundColor":"rgb(164, 207, 99)","data":[2,3],"percentage":["28.57","42.86"]},{"label":"Quartile not defined","backgroundColor":"#E5E7EB","data":[0,0],"percentage":["0","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
Cite this
GOST
Copy
Yuanyuan W. et al. Cerium-promoted conversion of dinitrogen into high-energy-density material CeN6 under moderate pressure // Matter and Radiation at Extremes. 2023. Vol. 8. No. 3.
GOST all authors (up to 50)
Copy
Yuanyuan W., Li Z., Niu S., Yi W. C., Liu S., Yao Z., Liu B. Cerium-promoted conversion of dinitrogen into high-energy-density material CeN6 under moderate pressure // Matter and Radiation at Extremes. 2023. Vol. 8. No. 3.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1063/5.0136443
UR - https://doi.org/10.1063/5.0136443
TI - Cerium-promoted conversion of dinitrogen into high-energy-density material CeN6 under moderate pressure
T2 - Matter and Radiation at Extremes
AU - Yuanyuan, Wang
AU - Li, Zhihui
AU - Niu, Shifeng
AU - Yi, Wen Cai
AU - Liu, Shuang
AU - Yao, Zhen
AU - Liu, Bingbing
PY - 2023
DA - 2023/04/20 00:00:00
PB - American Institute of Physics (AIP)
IS - 3
VL - 8
SN - 2468-2047
SN - 2468-080X
ER -
Cite this
BibTex
Copy
@article{2023_Yuanyuan,
author = {Wang Yuanyuan and Zhihui Li and Shifeng Niu and Wen Cai Yi and Shuang Liu and Zhen Yao and Bingbing Liu},
title = {Cerium-promoted conversion of dinitrogen into high-energy-density material CeN6 under moderate pressure},
journal = {Matter and Radiation at Extremes},
year = {2023},
volume = {8},
publisher = {American Institute of Physics (AIP)},
month = {apr},
url = {https://doi.org/10.1063/5.0136443},
number = {3},
doi = {10.1063/5.0136443}
}