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

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

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Al 2 -Al 40 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 + + Al n-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
Volume26
Issue number2
StatePublished - Dec 1 2010

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Ionization potential
Aluminum
Binding energy
Discrete Fourier transforms
Ions
Electrons
Experiments

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

Zhang, Wei ; Li, Zhuo ; Zhang, Gang ; Lü, Wen Cai. / Fragmentation behavior and ionization potentials of aluminum clusters Al n (n≤40) In: Chemical Research in Chinese Universities. 2010 ; Vol. 26, No. 2. pp. 294-299.
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Fragmentation behavior and ionization potentials of aluminum clusters Al n (n≤40) . / Zhang, Wei; Li, Zhuo; Zhang, Gang; Lü, Wen Cai.

In: Chemical Research in Chinese Universities, Vol. 26, No. 2, 01.12.2010, p. 294-299.

Research output: Contribution to journalArticle

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AB - Al 2 -Al 40 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 + + Al n-1 for the smaller ones. And, the calculated ionization potentials are consistent with the experiment data.

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