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From inverse sandwich Ta(2)B(7)(+) and Ta(2)B(8) to spherical trihedral Ta(3)B(12)(−): prediction of the smallest metallo-borospherene
Transition-metal-doped boron nanoclusters exhibit interesting structures and bonding. Inspired by the experimentally discovered inverse sandwich D(6h) Ta(2)B(6) and spherical trihedral D(3h) La(3)B(18)(−) and based on extensive first-principles theory calculations, we predict herein the structural t...
| 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/PMC9055930/ https://www.ncbi.nlm.nih.gov/pubmed/35521142 http://dx.doi.org/10.1039/d0ra05570k |