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The properties of Pbn(n=2―30) clusters including binding energies,second differences in energy,and HOMO-LUMO gaps,especially fragmentation energies and ionization potentials,have been studied by ab initio calculation.The main fragmentation products of Pbn+ are shown to be Pb+Pbn-1+ for n≤14 and two small cluster fragments for larger ones with n>14.The Pb13+ appears frequently as the products in the fragmentations of large clusters.Also,the calculated ionization potentials of the clusters are consistent with the experiment data.
The properties of Pbn (n = 2-30) clusters including binding energies, second differences in energy, and HOMO-LUMO gaps, particularly fragmentation energies and ionization potentials, have been studied by ab initio calculation. The main fragmentation products of Pbn + are shown to be Pb + Pbn-1 + for n ≦ 14 and two small cluster fragments for larger ones with n> 14. The Pb13 + appears frequently as the products in the fragmentations of large clusters. Als, the calculated ionization potentials of the clusters are consistent with the experiment data.