Structure and Stability of Small Zinc Oxide Clusters Full article
Journal |
Physics of the Solid State
ISSN: 1063-7834 , E-ISSN: 1090-6460 |
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Output data | Year: 2012, Volume: 54, Number: 4, Pages: 859-865 Pages count : 7 DOI: 10.1134/S1063783412040294 | ||||||
Tags | Density Functional Theory; Zinc Oxide; Oxygen Center; Neutral Cluster; Charged Cluster | ||||||
Authors |
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Affiliations |
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Funding (2)
1 | Russian Foundation for Basic Research | 10-03-00441 |
2 | Siberian Branch of the Russian Academy of Sciences | 26 |
Abstract:
The structure and stability of small neutral and positively charged zinc oxide (ZnO) n clusters (n = 2−9) have been studied within the density functional theory. For n ≤ 7, the most stable clusters are shown to be flat rings; for n = 8, 9, the clusters are mainly three-dimensional cage structures. The energies and main channels of fragmentation of the clusters have been determined. It has been found that the fragmentation of the charged clusters with n > 6 occurs predominantly with formation of a (ZnO) 4 + ion, which explains the available mass spectrometric data on ionization of the zinc oxide clusters by electron impact.
Cite:
Trushin E.V.
, Zilberberg I.L.
, Bulgakov A.V.
Structure and Stability of Small Zinc Oxide Clusters
Physics of the Solid State. 2012. V.54. N4. P.859-865. DOI: 10.1134/S1063783412040294 WOS Scopus РИНЦ
Structure and Stability of Small Zinc Oxide Clusters
Physics of the Solid State. 2012. V.54. N4. P.859-865. DOI: 10.1134/S1063783412040294 WOS Scopus РИНЦ
Original:
Трушин Е.В.
, Зильберберг И.Л.
, Булгаков А.В.
Структура и устойчивость малых кластеров оксида цинка
Физика твердого тела. 2012. Т.54. №4. С.806-812. РИНЦ
Структура и устойчивость малых кластеров оксида цинка
Физика твердого тела. 2012. Т.54. №4. С.806-812. РИНЦ
Dates:
Submitted: | Oct 4, 2011 |
Published print: | Apr 1, 2012 |
Published online: | Apr 18, 2012 |
Identifiers:
Web of science | WOS:000302961900026 |
Scopus | 2-s2.0-84859814423 |
Elibrary | 17982897 |
Chemical Abstracts | 2012:561189 |
Chemical Abstracts (print) | 158:313084 |
OpenAlex | W2098354105 |