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Hollow Li(20)B(60) Cage: Stability and Hydrogen Storage
A stable hollow Li(20)B(60) cage with D(2) symmetry has been identified using first-principles density functional theory studies. The results of vibrational frequency analysis and molecular dynamics simulations demonstrate that this Li(20)B(60) cage is exceptionally stable. The feasibility of functi...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4830930/ https://www.ncbi.nlm.nih.gov/pubmed/27076264 http://dx.doi.org/10.1038/srep24500 |