The electronic structure and properites of group 8 oxides MO_4, where M=Ru, Os, and Element 108, Hs

摘要

Fully realtivisitic density functional calculations have been performed for group 8 tetroxides MO_4, where M=Ru, Is, and element 108, Hs. The electronic structure analysis has shown HsO_4 to be very similar to OsO_4, with the covalence and stability increasing from OsO_4 to HsO_4. Using models of atom-slab interactions, adsorption enthalphies of RuO_4 and HsO_4 on the quartz surface have been calculated suing some models of physisorption. The volatility of the single species was shown to have the following trend, RuO_4