RECENT ACHIEVEMENTS IN THEORETICAL PREDICTIONS OF GAS-PHASE EXPERIMENTAL BEHAVIOR OF ELEMENTS 112,113 AND 114

摘要

Accurate calculations of adsorption energies of superheavy elements 112, 113 and 114 and their homologs Hg, Tl, and Pb, on surfaces of quartz and gold have been performed using both a cluster model and periodic DFT codes. According to the results, Pb, Tl and E113 should interact both with hydroxylated quartz and gold surfaces, while Hg, Cn and Fl should not interact with the former (at room temperature), but should interact with the latter. The strength of adsorption on gold should change as Hg Fl > Cn, so that Fl and Cn should adsorb on gold in the area of much lower temperatures than Hg, with Cn being the most volatile out of this series.