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The binary aluminum scandium clusters Al(x)Sc(y) with x + y = 13: when is the icosahedron retained?
Geometrical and electronic structures of the 13-atom clusters Al(x)Sc(y) with x + y = 13, as well as their thermodynamic stabilities were investigated using DFT calculations. Both anionic and neutral isomers of Al(x)Sc(y) were found to retain an icosahedral shape of both Al(13) and Sc(13) systems in...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9044545/ https://www.ncbi.nlm.nih.gov/pubmed/35494155 http://dx.doi.org/10.1039/d1ra06994b |