SurfaceScience21 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

O: Fachverband Oberflächenphysik

O 97: Poster Session VII: Poster to Mini-Symposium: Molecular scale investigations of liquid-vapor interfaces II

O 97.3: Poster

Donnerstag, 4. März 2021, 10:30–12:30, P

Structure of Aqueous Solutions via X-ray spectroscopies based on non-local Auger processes — •Eva Muchova and Petr Slavíček — Department of Physical Chemistry, University of Chemistry and Technology, Prague, Czech Republic

Novel Auger-type X-ray spectroscopies are bringing new insights in the structure and electronic properties of aqueous solutions. It allows studying the chemical environment in solutions, e.g. the mutual effects of ions and solvent on each other, as well as ultrafast processes following ionization. The spectroscopy is also depth-sensitive and can reveal structural changes in interfaces. Sensitivity to ion pairing is achieved mainly by analysis of secondary electron spectroscopies, especially when newly identified non-local electron decay processes. The experiments, however, require a complex theoretical interpretation. In the contribution, we can show for a series of Na+, Mg2+ and Al3+ ions how the non-local Auger spectroscopy (mainly intermolecular Coulomb decay process, ICD) can provide details of speciation, e.g. show different type of interaction between ions and between ions and solvent. We can further discuss recent development of theoretical toolkit for non-local processes which we combine with multiscale methods like QM/MM or QM:QM in order to realistically model the environment.