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Ab Initio Study of Structural and Electronic Properties of (ZnO)(n) “Magical” Nanoclusters n = (34, 60)
Density functional theory studies of the structural and electronic properties of nanoclusters (ZnO)(n) (n = 34, 60) in different geometric configurations were conducted. For each cluster, an optimization (relaxation) of structure geometry was performed, and the basic properties of the band structure...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer US
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5267611/ https://www.ncbi.nlm.nih.gov/pubmed/28124302 http://dx.doi.org/10.1186/s11671-017-1848-8 |