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- W1990269905 abstract "Abstract The photoelectron spectra of bimetallic, mass-selected NbnCo− clusters (n=3–15) measured at 4.66 eV photon energy are reported. The electronic structure changes of the binary clusters are discussed in comparison with the electronic structures of pure Nbn− clusters as a function of size evolution. Spectroscopic parameters like electron affinities (EAs) and vertical detachment energies (VDEs) are determined. The addition of one Co atom to the Nbn cluster core significantly perturbs the electronic structures of pure Nbn clusters at small cluster sizes. Electronic state merging can be explained by hybridization of Co 3d and 4s as well as Nbn 4d-derived valence orbitals. Tentative geometric structure postulations are carried out revealing the influence of the incoming Co atom toward the intact Nbn cluster core. In strong contrast to pure Nbn clusters, a highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) gap closing of NbnCo at n=6 indicates a bulk-like evolution of electronic structures induced by charge transfer of Co 3d electrons." @default.
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- W1990269905 date "2003-09-01" @default.
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- W1990269905 title "Band gap shiftings in Co-doped Nbn (n=3–15) clusters: influence of Co 3d electrons on the electronic structure" @default.
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- W1990269905 doi "https://doi.org/10.1016/s1387-3806(03)00258-6" @default.
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