STUDY OF THE ELECTRONIC AND STRUCTURAL PROPERTIES OF ZnO CLUSTERS
2010 ◽
Vol 24
(17)
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pp. 3297-3309
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Keyword(s):
We present a systematic first-principle study of the structures, energetics and electronic structure of (ZnO) n clusters in the size range 1 ≤ n≤ 12. We show that the planar ring structures are stable for n < 8, while spheroidal structures made out of rings of (ZnO) 3 and (ZnO) 2 are stable for n ≥ 8. We examine the binding energies and HOMO–LUMO gaps of the clusters and try to understand our results from simple physical ideas.
2015 ◽
Vol 17
(7)
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pp. 5321-5327
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2011 ◽
Vol 509
(21)
◽
pp. 6142-6145
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2014 ◽
Vol 01
(01)
◽
pp. 1002
2016 ◽
Vol 9
◽
pp. 35-39
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