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)|
|Number of pages||6|
|Journal||Chemical Research in Chinese Universities|
|State||Published - 2010|
All Science Journal Classification (ASJC) codes