Predicting the crystal structure of $$\hbox {N}_5\hbox {AsF}_6$$ N 5 AsF 6 high energy density material using ab initio evolutionary algorithms

Abstract $$\hbox {N}_5\hbox {AsF}_6$$ N 5 AsF 6 is the first successfully synthesized salt that has a polymeric nitrogen moeity ( $$\hbox {N}_5^+$$ N 5 + ). Although 12 other $$\hbox {N}_5^+$$ N 5 + salts followed, with $$\hbox {N}_5\hbox {SbF}_6$$ N 5 SbF 6 and $$\hbox {N}_5\hbox {Sb}_2\hbox {F}_{1...

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Autores principales: El Mostafa Benchafia, Xianqin Wang, Zafar Iqbal, Sufian Abedrabbo
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/6ad3aa04d7c74ea795cea5a1059ddc78
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