Physical Chemistry Chemical Physics, volume 23, issue 21, pages 12350-12359
Pressure-induced novel nitrogen-rich aluminum nitrides: AlN6, Al2N7 and AlN7 with polymeric nitrogen chains and rings
Huifang Du
1
,
Yanfeng Ge
2
,
Jinlong Zhu
3
,
Wei Guo
1, 4
,
Yugui Yao
1, 4, 5
Publication type: Journal Article
Publication date: 2021-05-06
Journal:
Physical Chemistry Chemical Physics
scimago Q2
SJR: 0.721
CiteScore: 5.5
Impact factor: 2.9
ISSN: 14639076, 14639084
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
DFT calculations and the structural search method based on the particle swarm optimization (PSO) algorithm under pressure have been used to predict novel nitrogen-rich aluminum nitrides with polymeric nitrogen chains and rings.
Found
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