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O: Fachverband Oberflächenphysik

O 36: Poster Session II (Metals; Nanostructures at surfaces; Surface or interface magnetism; Spin-Orbit Interaction at Surfaces; Electron and spin dynamics; Surface dynamics; Methods; Theory and computation of electronic structure)

O 36.117: Poster

Dienstag, 15. März 2011, 18:30–22:00, P4

Adsorption behavior of super-heavy elements (Z≥ 100) and their chemical complexes on inert and metal surfaces — •Josef Anton and Timo Jacob — Inst. für Elektrochemie, Uni Ulm

One of the very interesting but on the other site also extremely challenging topics in modern chemistry concerns the properties of super-heavy elements [1]. Due to their very short life times (∼ 1 s) one is limited to experiments on only one atom at a time, which have to be performed before the nucleus decays. Since most standard techniques of ’traditional’ chemistry are not applicable, only few experimental setups are available, such as the gas-phase thermochromatography [1, 2]. In this method the volatility of a super-heavy element as well as the adsorption temperature T_ads of these species on the detector is measured. Adsorption enthalpies, Δ H_ads, can then be deduced from T_ads using statistical thermodynamic models and Monte Carlo simulations. In order to be able to perform accurate calculations one has to describe the motion of the electrons in a fully relativistic manner. We used our four-component DFT code [3] to determine the adoption energies of the super-heavy elements (Z ≥ 100) and their homologues on different surfaces. After discussing the prodecure and the results, we will provide a comparison of some of the obtained trends to recent experimental studies.

[1] M. Schädel, The Chemistry of Superheavy Elements, Kluwer Academic Publishers, Dordrecht, 2003.

[2] M. Schädel and A. Türler, Physik Journal, 6, 35 (2009).

[3] J. Anton, B. Fricke, E. Engel, Phys. Rev. A, 69, 012505 (2004).