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Computational screening of carbon monoxide (CO) adsorption over neutral and charged Al(7) clusters

A density functional theory study on the structures and chemical bonding of charged (Al(7)(+) and Al(7)(−)) and neutral Al(7) clusters is presented. A distorted octahedral structure with an aluminum atom decorating one of the aluminum faces of the octahedron is predicted for these clusters. The AdND...

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Detalles Bibliográficos
Autores principales:	Abdeveiszadeh, Z., Shakerzadeh, E., Noorizadeh, S.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6538984/ https://www.ncbi.nlm.nih.gov/pubmed/31193714 http://dx.doi.org/10.1016/j.heliyon.2019.e01762

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