Fragmentation behavior of Ge-n clusters (2 <= n <= 33)

TitleFragmentation behavior of Ge-n clusters (2 <= n <= 33)
Publication TypeJournal Article
Year of Publication2008
AuthorsZhao LZ, Lu WC, Qin W, Zang QJ, Wang CZ, Ho KM
Journal TitleChemical Physics Letters
Date PublishedApr
Type of ArticleArticle
ISBN Number0009-2614
Accession NumberISI:000255552800020
KeywordsAMMONIA, ANIONS, GE(N), germanium clusters, ionization, ions, si, spectra, spectroscopy, stability

The lowest-energy structures of Ge-2-Ge-33 have been optimized using all-electron DFT method. The properties of the germanium clusters including binding energies, second order differences in energy, HOMO-LOMO gaps, and especially fragmentation energies and fragmentation behavior have been studied. Our calculation shows that the fragmentation products of Ge-6, Ge-7, and Ge-10 clusters are abundant and appear frequently in fragmentation processes, which is consistent with the experimental observations. (C) 2008 Elsevier B.V. All rights reserved.

Alternate JournalChem. Phys. Lett.