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The polymerization of nitrogen in Li(2)N(2) at high pressures

The polymerization of nitrogen can be used as high energy density materials. The crystal structures of Li(2)N(2) at high pressures are explored by using the first-principles method combined with evolutionary algorithm. The phase transitions Pmmm → Immm → Pnma → Cmcm-1 → I4(1)/acd are predicted in th...

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Detalles Bibliográficos
Autores principales: Zhang, Jie, Wang, Xianlong, Yang, Kaishuai, Cheng, Ya, Zeng, Zhi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6120935/
https://www.ncbi.nlm.nih.gov/pubmed/30177855
http://dx.doi.org/10.1038/s41598-018-31355-z