Berlin 2018 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 71: Focus Session: Nanoscale Insights into Interfacial Electrochemistry II

O 71.2: Vortrag

Mittwoch, 14. März 2018, 15:15–15:30, HE 101

Selective solvent-induced stabilization of polar oxide surfaces in an electrochemical environment — •Su-Hyun Yoo, Mira Todorova, and Jörg Neugebauer — Department of Computational Materials Design, Max-Planck-Insitut fuer Eisenforschung GmbH, Duesseldorf, Germany

Solid/liquid interfaces are at the heart of many problems of practical importance, such as water electrolysis and batteries, photo catalytic water splitting, electro catalysis or corrosion. Understanding what surface structures form when the solid is immersed in an aqueous electrolyte is therefore of particularly high interest. Focusing on the ZnO(0001) surface as a typical example of a polar oxide surface, we study the thermodynamic stability of its surface reconstructions subject to the environmental conditions. We find that solvation effects are highly selective: They have little effect on surfaces showing a metallic character, but largely stabilize semiconducting structures, particularly those that have a high electrostatic penalty in vacuum. We will show that this selectivity has direct consequences for the surface phase diagram and discuss the mechanisms by which it is triggered.

[1] S.-H. Yoo, M. Todorova and J. Neugebauer (submitted)