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Structural and electronic properties of uranium-encapsulated Au(14) cage
The structural properties of the uranium-encapsulated nano-cage U@Au(14) are predicted using density functional theory. The presence of the uranium atom makes the Au(14) structure more stable than the empty Au(14)-cage, with a triplet ground electronic state for U@Au(14). Analysis of the electronic...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5376176/ https://www.ncbi.nlm.nih.gov/pubmed/25069968 http://dx.doi.org/10.1038/srep05862 |