Ab Initio Study of Structural and Electronic Properties of (ZnO) n “Magical” Nanoclusters n = (34, 60)
نویسندگان
چکیده
منابع مشابه
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 were investigated. It was established that for the (ZnO)34 nanoclusters, the most stable are full...
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ژورنال
عنوان ژورنال: Nanoscale Research Letters
سال: 2017
ISSN: 1931-7573,1556-276X
DOI: 10.1186/s11671-017-1848-8