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B(12)-containing volleyball-like molecule for hydrogen storage
A stable core–shell volleyball-like structure of B(12)@Li(20)Al(12) has been proposed using first-principles calculations. This structure with T(h) symmetry is constructed with a core structure of I(h)-B(12) and a volleyball-like shell of Li(20)Al(12). Frequency analysis and molecular dynamics simul...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9049906/ https://www.ncbi.nlm.nih.gov/pubmed/35497825 http://dx.doi.org/10.1039/c9ra10491g |