“…For Si 9 O cluster, the O atom is adsorbed on the edge site of the lowest energy Si 9 cluster [30], which excellently agrees with our previous results using different method [27]. To our knowledge, the ground-state structure of Si 8 [14,19,20]. The most stable structure for Si 2 O 8 cluster consists of the two SiO 3 rhombuses Table 1: The total binding energy (E tot , in eV), electron affinity (EA, in eV), ionization potential (IP, in eV), the gap of HOMO-LOMO (E g , in eV), dipole moment (μ, in Debye), and total constant volume heat capacity (C v (tot), in cal/mol K), for the three lowest energy structures of Si n O (n=14-18) clusters.…”