Chemistry of Materials, volume 30, issue 21, pages 7623-7636
Barium–Nitrogen Phases Under Pressure: Emergence of Structural Diversity and Nitrogen-Rich Compounds
Bowen Huang
1, 2
,
2
IC2MP UMR 7285, Université de Poitiers - CNRS, 4, rue Michel Brunet TSA 51106 - 86073 Cedex 9, Poitiers, France
|
Publication type: Journal Article
Publication date: 2018-10-15
Journal:
Chemistry of Materials
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 8.6
ISSN: 08974756, 15205002
Materials Chemistry
General Chemistry
General Chemical Engineering
Abstract
Although the potential of polynitrogen as a high-energy density material (HEDM) has attracted attention, the difficulty of preserving polynitrogen thwarts attempts to discover molecular and extended nitrogen structures. Mixing nitrogen with electropositive elements to obtain viable solid-state compounds represents one approach to overcome thermodynamic/kinetic instability. In pursuit of barium nitrides within the Ba–N family, we theoretically explored the ground/metastable structures from ambient pressure up to 100 GPa. Crystal structure prediction (CSP) based on evolutionary algorithms and density functional theory identified 13 stoichiometries and 24 stable structures; several metastable phases were dynamically stable. Pressure and barium/nitrogen ratio represent controllable factors for polynitrogen net preparation. Four types of phases could be classified based on nitrogen structural dimensionality: isolated nitrogen atom; nitrogen molecules, e.g., N2 dumbbells, linear N3 azides, N4 zigzag units, N5 p...
Top-30
Citations by journals
|
2
4
6
8
10
|
|
|
Journal of Physical Chemistry C
10 publications, 13.16%
|
|
|
Physical Chemistry Chemical Physics
6 publications, 7.89%
|
|
|
Inorganic Chemistry
5 publications, 6.58%
|
|
|
Chinese Physics B
4 publications, 5.26%
|
|
|
Matter and Radiation at Extremes
3 publications, 3.95%
|
|
|
Journal of Physics Condensed Matter
3 publications, 3.95%
|
|
|
Computational Materials Science
3 publications, 3.95%
|
|
|
Journal of Physical Chemistry Letters
3 publications, 3.95%
|
|
|
Journal of Chemical Physics
2 publications, 2.63%
|
|
|
Results in Physics
2 publications, 2.63%
|
|
|
Chinese Physics Letters
2 publications, 2.63%
|
|
|
Dalton Transactions
2 publications, 2.63%
|
|
|
Vacuum
2 publications, 2.63%
|
|
|
Nature Chemistry
1 publication, 1.32%
|
|
|
Chemical Reviews
1 publication, 1.32%
|
|
|
Materials
1 publication, 1.32%
|
|
|
Communications Chemistry
1 publication, 1.32%
|
|
|
Science China: Physics, Mechanics and Astronomy
1 publication, 1.32%
|
|
|
Solid State Communications
1 publication, 1.32%
|
|
|
Fundamental Research
1 publication, 1.32%
|
|
|
Materials Science in Semiconductor Processing
1 publication, 1.32%
|
|
|
New Journal of Physics
1 publication, 1.32%
|
|
|
Physics Letters, Section A: General, Atomic and Solid State Physics
1 publication, 1.32%
|
|
|
Journal of Alloys and Compounds
1 publication, 1.32%
|
|
|
ACS applied materials & interfaces
1 publication, 1.32%
|
|
|
ACS Omega
1 publication, 1.32%
|
|
|
ACS Materials Letters
1 publication, 1.32%
|
|
|
Materials Advances
1 publication, 1.32%
|
|
|
Chemistry of Materials
1 publication, 1.32%
|
|
|
2
4
6
8
10
|
Citations by publishers
|
5
10
15
20
25
|
|
|
American Chemical Society (ACS)
25 publications, 32.89%
|
|
|
Elsevier
13 publications, 17.11%
|
|
|
Royal Society of Chemistry (RSC)
12 publications, 15.79%
|
|
|
IOP Publishing
10 publications, 13.16%
|
|
|
American Institute of Physics (AIP)
5 publications, 6.58%
|
|
|
Springer Nature
2 publications, 2.63%
|
|
|
Multidisciplinary Digital Publishing Institute (MDPI)
1 publication, 1.32%
|
|
|
Science in China Press
1 publication, 1.32%
|
|
|
Hans Publishers
1 publication, 1.32%
|
|
|
Taylor & Francis
1 publication, 1.32%
|
|
|
OAE Publishing Inc.
1 publication, 1.32%
|
|
|
American Physical Society (APS)
1 publication, 1.32%
|
|
|
Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
1 publication, 1.32%
|
|
|
5
10
15
20
25
|
- 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":[2019,2020,2021,2022,2023,2024],"ids":[0,0,0,0,0,0],"codes":[0,0,0,0,0,0],"imageUrls":["","","","","",""],"datasets":[{"label":"Citations number","data":[7,7,15,17,16,14],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":["9.21","9.21","19.74","22.37","21.05","18.42"],"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":["Journal of Physical Chemistry C","Physical Chemistry Chemical Physics","Inorganic Chemistry","Chinese Physics B","Matter and Radiation at Extremes","Journal of Physics Condensed Matter","Computational Materials Science","Journal of Physical Chemistry Letters","Journal of Chemical Physics","Results in Physics","Chinese Physics Letters","Dalton Transactions","Vacuum","Nature Chemistry","Chemical Reviews","Materials","Communications Chemistry","Science China: Physics, Mechanics and Astronomy","Solid State Communications","Fundamental Research","Materials Science in Semiconductor Processing","New Journal of Physics","Physics Letters, Section A: General, Atomic and Solid State Physics","Journal of Alloys and Compounds","ACS applied materials & interfaces","ACS Omega","ACS Materials Letters","Materials Advances","Chemistry of Materials"],"ids":[8859,1773,24714,6895,23140,4579,3669,21963,544,21835,22690,8473,11149,17228,13718,25198,1368,3599,13041,27258,8329,431,2947,4015,1458,18901,13131,25900,6428],"codes":[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/LsKy6OnmmmRGcAU6CZgWQvNiP1polbaSLNrN7zqj_medium.webp","\/storage\/images\/resized\/ARM4e6URKRsbRZvIF0vFis9DjxGloBjnBYJXbHmZ_medium.webp","\/storage\/images\/resized\/LsKy6OnmmmRGcAU6CZgWQvNiP1polbaSLNrN7zqj_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/ARM4e6URKRsbRZvIF0vFis9DjxGloBjnBYJXbHmZ_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/LsKy6OnmmmRGcAU6CZgWQvNiP1polbaSLNrN7zqj_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/LsKy6OnmmmRGcAU6CZgWQvNiP1polbaSLNrN7zqj_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\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp"],"datasets":[{"label":"","data":[10,6,5,4,3,3,3,3,2,2,2,2,2,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[13.16,7.89,6.58,5.26,3.95,3.95,3.95,3.95,2.63,2.63,2.63,2.63,2.63,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32,1.32],"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":["American Chemical Society (ACS)","Elsevier","Royal Society of Chemistry (RSC)","IOP Publishing","American Institute of Physics (AIP)","Springer Nature","Multidisciplinary Digital Publishing Institute (MDPI)","Science in China Press","Hans Publishers","Taylor & Francis","OAE Publishing Inc.","American Physical Society (APS)","Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii"],"ids":[40,17,123,2075,250,8,202,6481,8722,18,7181,1539,9422],"codes":[0,0,0,0,0,0,0,0,0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/GDnYOu1UpMMfMMRV6Aqle4H0YLLsraeD9IP9qScG_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/LsKy6OnmmmRGcAU6CZgWQvNiP1polbaSLNrN7zqj_medium.webp","\/storage\/images\/resized\/ARM4e6URKRsbRZvIF0vFis9DjxGloBjnBYJXbHmZ_medium.webp","\/storage\/images\/resized\/voXLqlsvTwv5p3iMQ8Dhs95nqB4AXOG7Taj7G4ra_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","","\/storage\/images\/resized\/RJ5CyToQ8bANAfubYmoLtlA4KJKHWcRsvUmqs5XH_medium.webp","\/storage\/images\/resized\/5YZtvLvkPZuc2JHOaZsjCvGSHFCuC3drUwN3YAc5_medium.webp","\/storage\/images\/resized\/0oGA3odz6rRHYyWD8vQnHiPJ8KIaP1PtNoJm7RE1_medium.webp","\/storage\/images\/resized\/nrK64iXHTzj43wMrfN1ZoUQ0vanswGzWPN45K3jA_medium.webp","\/storage\/images\/resized\/9Mus3KG1Tkd7Bwaurt8H3RwWh0CxRlGoO6ng9UK1_medium.webp"],"datasets":[{"label":"","data":[25,13,12,10,5,2,1,1,1,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[32.89,17.11,15.79,13.16,6.58,2.63,1.32,1.32,1.32,1.32,1.32,1.32,1.32],"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":[2019,2020,2021,2022,2023,2024],"ids":[],"codes":[],"imageUrls":[],"datasets":[{"label":"Q4","backgroundColor":"rgb(221,90,78)","data":[0,0,0,0,0,0],"percentage":["0","0","0","0","0","0"]},{"label":"Q3","backgroundColor":"rgb(251, 163,83)","data":[0,0,0,0,4,1],"percentage":["0","0","0","0","5.26","1.32"]},{"label":"Q2","backgroundColor":"rgb(232, 213, 89)","data":[1,0,2,6,2,1],"percentage":["1.32","0","2.63","7.89","2.63","1.32"]},{"label":"Q1","backgroundColor":"rgb(164, 207, 99)","data":[6,7,12,10,9,11],"percentage":["7.89","9.21","15.79","13.16","11.84","14.47"]},{"label":"Quartile not defined","backgroundColor":"#E5E7EB","data":[0,0,1,1,1,1],"percentage":["0","0","1.32","1.32","1.32","1.32"]}]},"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":[2019,2020,2021,2022,2023,2024],"ids":[],"codes":[],"imageUrls":[],"datasets":[{"label":"Q4","backgroundColor":"rgb(221,90,78)","data":[0,0,0,0,0,0],"percentage":["0","0","0","0","0","0"]},{"label":"Q3","backgroundColor":"rgb(251, 163,83)","data":[1,0,1,2,7,2],"percentage":["1.32","0","1.32","2.63","9.21","2.63"]},{"label":"Q2","backgroundColor":"rgb(232, 213, 89)","data":[4,3,6,5,2,6],"percentage":["5.26","3.95","7.89","6.58","2.63","7.89"]},{"label":"Q1","backgroundColor":"rgb(164, 207, 99)","data":[2,4,7,8,5,4],"percentage":["2.63","5.26","9.21","10.53","6.58","5.26"]},{"label":"Quartile not defined","backgroundColor":"#E5E7EB","data":[0,0,1,2,2,2],"percentage":["0","0","1.32","2.63","2.63","2.63"]}]},"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
Huang B., Frapper G. Barium–Nitrogen Phases Under Pressure: Emergence of Structural Diversity and Nitrogen-Rich Compounds // Chemistry of Materials. 2018. Vol. 30. No. 21. pp. 7623-7636.
GOST all authors (up to 50)
Copy
Huang B., Frapper G. Barium–Nitrogen Phases Under Pressure: Emergence of Structural Diversity and Nitrogen-Rich Compounds // Chemistry of Materials. 2018. Vol. 30. No. 21. pp. 7623-7636.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1021/acs.chemmater.8b02907
UR - https://doi.org/10.1021/acs.chemmater.8b02907
TI - Barium–Nitrogen Phases Under Pressure: Emergence of Structural Diversity and Nitrogen-Rich Compounds
T2 - Chemistry of Materials
AU - Huang, Bowen
AU - Frapper, Gilles
PY - 2018
DA - 2018/10/15 00:00:00
PB - American Chemical Society (ACS)
SP - 7623-7636
IS - 21
VL - 30
SN - 0897-4756
SN - 1520-5002
ER -
Cite this
BibTex
Copy
@article{2018_Huang,
author = {Bowen Huang and Gilles Frapper},
title = {Barium–Nitrogen Phases Under Pressure: Emergence of Structural Diversity and Nitrogen-Rich Compounds},
journal = {Chemistry of Materials},
year = {2018},
volume = {30},
publisher = {American Chemical Society (ACS)},
month = {oct},
url = {https://doi.org/10.1021/acs.chemmater.8b02907},
number = {21},
pages = {7623--7636},
doi = {10.1021/acs.chemmater.8b02907}
}
Cite this
MLA
Copy
Huang, Bowen, et al. “Barium–Nitrogen Phases Under Pressure: Emergence of Structural Diversity and Nitrogen-Rich Compounds.” Chemistry of Materials, vol. 30, no. 21, Oct. 2018, pp. 7623-7636. https://doi.org/10.1021/acs.chemmater.8b02907.
Profiles