Regensburg 2019 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 67: Poster Wednesday: Solid-Liquid Interfaces

O 67.8: Poster

Mittwoch, 3. April 2019, 17:45–20:00, Poster B2

Electrolyte structure at Gallium Arsenide - KOH solution interfaces — •Alrik Stegmaier and Hans Hofsäss — 2. Physikalisches Institut, Georg-August Universität Göttingen

The electrolyte-semiconductor interface is a very active area of research. While the electrolyte structure near ideal surfaces in weak electrolytes are resonably well understood, non-ideal conditions, such as surface and near surface defects or strong electrolytes, are more difficult to understand. However, these conditions are important in many applications.

Here we present our latest results in modeling KOH solution structure near GaAs <100> surfaces with defects using molecular dynamics. For this we parameterize a polarizable force field against experimental, DFT, MP2 and CCSD(T) data. The electrolyte structure at different KOH concentrations and applied voltages is reconstructed. These results are compared against experimental data (such as impedance spectra) and continuum models.