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 typeJournal Article
Publication date2021-05-06
scimago Q2
SJR0.721
CiteScore5.5
Impact factor2.9
ISSN14639076, 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.

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