Abstract
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 language | English (US) |
---|---|
Pages (from-to) | 294-299 |
Number of pages | 6 |
Journal | Chemical Research in Chinese Universities |
Volume | 26 |
Issue number | 2 |
State | Published - 2010 |
All Science Journal Classification (ASJC) codes
- General Chemistry