Fragmentation behavior and ionization potentials of aluminum clusters Aln(n≤40)

Wei Zhang, Zhuo Li, Gang Zhang, Wen Cai Lü

Research output: Contribution to journalArticlepeer-review

3 Scopus citations


Al2-Al40 clusters were studied by means of the all-electron DFT method. The properties of the aluminum clusters including binding energy, the second difference in energy, HOMO-LUMO gap, especially fragmentation energies and ionization potentials, were analyzed. The main products from the dissociations of aluminum cluster ions are shown to be Al + Al+n-1 for the larger clusters, and Al+ + Aln-1 for the smaller ones. And, the calculated ionization potentials are consistent with the experiment data.

Original languageEnglish (US)
Pages (from-to)294-299
Number of pages6
JournalChemical Research in Chinese Universities
Issue number2
StatePublished - 2010

All Science Journal Classification (ASJC) codes

  • General Chemistry


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