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Formation mechanism of insensitive tellurium hexanitride with armchair-like cyclo-N(6) anions
The lower decomposition barriers of cyclo-N(6) anions hinder their application as high-energy-density materials. Here, first-principles calculations and molecular dynamics simulations reveal that enhancing the covalent component of the interaction between cyclo-N(6) anions and cations can effectivel...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9814709/ https://www.ncbi.nlm.nih.gov/pubmed/36703365 http://dx.doi.org/10.1038/s42004-020-0286-1 |