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O: Fachverband Oberflächenphysik

O 10: Methods: Electronic structure theory & Methods: other (theory)

O 10.4: Vortrag

Montag, 22. März 2010, 15:45–16:00, H31

Adsorption behavior of super-heavy elements from 112 to 118 on inert and metal surfaces — •Josef Anton and Timo Jacob — Institut für Elektrochemie, Universität Ulm, 89069 Ulm

One of the very interesting but also rather challenging topics in modern chemistry are the properties of super-heavy elements at the edge of the periodic table [1]. Due to their very short life times (usually <1 s) one is only able to perform extremely short (before the decay of the nucleus) experiments on one atom at a time. Therefore, most standard techniques of ”traditional” chemistry are not applicable, leaving only a few possibilities. One of these is the gas-phase thermochromatography [1,2], where the desorption temperature of a species is measured and afterwards analyzed to obtain different element properties such as the volatility.

For the theoretical calculation of the properties of these super-heavy elements as well their adsorption behavior on the detector material (e.g. gold or quartz), a fully-relativistic description of all electrons is required. Therefore, using our four-component DFT code [3], we determined the adoption energies of elements 112 to 118 and their homologues on different metal surfaces. In this presentation we will discuss these results, compare them to available experiments, and provide predictions for future measurements.