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- W2085284473 abstract "Using hybrid density functional theory, we investigate structural and electronic properties of small Cun clusters (with n ≤ 9) adsorbed on the nonpolar ZnO(101̅0) surface. The Cu clusters grow in a planar fashion up to a size of six atoms, after which the clusters take on a polyhedral shape. We find even–odd alternations with respect to both cluster stability (for n = 1–6) and cluster charge, as a function of the number of atoms. Even-numbered clusters are always charge-neutral, while odd-numbered clusters can become positively charged by donation of an electron to the ZnO conduction band, which can be traced back to the fact that the ionization energies of odd-numbered gas-phase Cu clusters are lower than for even-numbered ones. The most stable adsorbed odd-numbered clusters are neutral and planar for n ≤ 3 and positively charged and polyhedral for n ≥ 7. For n = 5, both neutral planar and positively charged polyhedral configurations are similarly stable." @default.
- W2085284473 created "2016-06-24" @default.
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- W2085284473 date "2014-03-14" @default.
- W2085284473 modified "2023-09-27" @default.
- W2085284473 title "Small Cu Clusters Adsorbed on ZnO(101̅0) Show Even–Odd Alternations in Stability and Charge Transfer" @default.
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- W2085284473 doi "https://doi.org/10.1021/jp412694y" @default.
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