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}

Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement (MOE), School of Physics, Beijing Institute of Technology, Beijing 100081, China |

State Key Laboratory of Metastable Materials Science and Technology & Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University, Qinhuangdao, China |

Department of Physics, Southern University of Science and Technology (SUSTech), Shenzhen 518055, China |

⁴

Frontiers Science Center for High Energy Material (MOE), Beijing Institute of Technology, Beijing 100081, China |

⁵

State Key laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China |

Publication type: Journal Article

Publication date: 2021-05-06

Royal Society of Chemistry (RSC)

Journal: Physical Chemistry Chemical Physics

scimago Q2

SJR: 0.721

CiteScore: 5.5

Impact factor: 2.9

ISSN: 14639076, 14639084

DOI: 10.1039/d1cp01027a

Copy DOI

PubMed ID: 34027533

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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Publisher

Royal Society of Chemistry (RSC)

Journal

Physical Chemistry Chemical Physics

scimago Q2

SJR

0.721

CiteScore

5.5

Impact factor

2.9

ISSN

14639076 (Print)

14639084 (Electronic)

Pressure-induced novel nitrogen-rich aluminum nitrides: AlN₆, Al₂N₇ and AlN₇ with polymeric nitrogen chains and rings

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Pressure-induced novel nitrogen-rich aluminum nitrides: AlN₆, Al₂N₇ and AlN₇ with polymeric nitrogen chains and rings