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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...

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Detalhes bibliográficos
Publicado no:Nanoscale Res Lett
Main Authors: Bovhyra, Rostyslav, Popovych, Dmytro, Bovgyra, Oleg, Serednytski, Andrew
Formato: Artigo
Idioma:Inglês
Publicado em: Springer US 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5267611/
https://ncbi.nlm.nih.gov/pubmed/28124302
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s11671-017-1848-8
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