DFT study of native point defects in (ZnO)n (n = 34, 60) nanoclusters
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: Journal of Physical Studies
سال: 2019
ISSN: 1027-4642,2310-0052
DOI: 10.30970/jps.23.2702