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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2019
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| Materias: | |
| 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 |