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• W1780590806 startingPage "17584" @default.
• W1780590806 abstract "Mass spectrometry experiments show an exceptionally weak bonding between Si7Mn(+) and rare gas atoms as compared to other exohedrally transition metal (TM) doped silicon clusters and other SinMn(+) (n = 5-10) sizes. The Si7Mn(+) cluster does not form Ar complexes and the observed fraction of Xe complexes is low. The interaction of two cluster series, SinMn(+) (n = 6-10) and Si7TM(+) (TM = Cr, Mn, Cu, and Zn), with Ar and Xe is investigated by density functional theory calculations. The cluster-rare gas binding is for all clusters, except Si7Mn(+) and Si7Zn(+), predominantly driven by short-range interaction between the TM dopant and the rare gas atoms. A high s-character electron density on the metal atoms in Si7Mn(+) and Si7Zn(+) shields the polarization toward the rare gas atoms and thereby hinders formation of short-range complexes. Overall, both Ar and Xe complexes are similar except that the larger polarizability of Xe leads to larger binding energies." @default.
• W1780590806 created "2016-06-24" @default.
• W1780590806 creator A5003396849 @default.
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• W1780590806 date "2015-01-01" @default.
• W1780590806 modified "2023-10-03" @default.
• W1780590806 title "Nature of the interaction between rare gas atoms and transition metal doped silicon clusters: the role of shielding effects" @default.
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• W1780590806 doi "https://doi.org/10.1039/c5cp00700c" @default.
• W1780590806 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26098279" @default.
• W1780590806 hasPublicationYear "2015" @default.
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