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Effect of Charge and Phosphine Ligands on the Electronic Structure of the Au(8) Cluster
[Image: see text] In this work, we use density functional theory calculations with a hybrid exchange–correlation functional and effective core pseudopotentials to determine the geometry of bare and phosphine-protected Au(8) nanoclusters and characterize their electronic structure. Au(8) clusters wer...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648428/ https://www.ncbi.nlm.nih.gov/pubmed/31460005 http://dx.doi.org/10.1021/acsomega.9b00225 |