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Dresden 2011 – scientific programme

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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

Tuesday, March 15, 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 Tads of these species on the detector is measured. Adsorption enthalpies, Δ Hads, can then be deduced from Tads 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).

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