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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...

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Detalles Bibliográficos
Autores principales: Cuong, Ngo Tuan, Mai, Nguyen Thi, Tung, Nguyen Thanh, Lan, Ngo Thi, Duong, Long Van, Nguyen, Minh Tho, Tam, Nguyen Minh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
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

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