Theoretical predictions of properties and adsorption behaviour of a superheavy element Ts and its lighter homolog At, and of their various gas-phase compounds, on hydroxylated quartz surfaces from periodic DFT calculations
Miroslav Iliaš, Valeria Pershina Adsorption energies, Eads, of a superheavy element Ts and its lighter homolog At, as well as of their various oxides, hydrides, and (oxy)hydroxides on hydroxylated quartz surfaces are calculated using a periodic density functional theory implemented in the AMS BAND software. It was shown that elemental At …
