Regensburg 2019 – scientific programme
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O: Fachverband Oberflächenphysik
O 13: Solid-Liquid Interfaces I: Electrocatalysis and Photoelectrochemistry
O 13.4: Talk
Monday, April 1, 2019, 15:45–16:00, H16
Modelling cost-effective RuO2 catalysts for the electrochemical oxygen evolution reaction via a core-shell approach — •Yonghyuk Lee, Daniel Opalka, Christoph Scheurer, and Karsten Reuter — Technische Universität München
Rutile-type transition metal oxides such as RuO2 and IrO2 currently receive great attention due to their high catalytic activity for the oxygen evolution reaction (OER) in acidic electrolytes. While most OER catalysts in proton exchange membrane electrolyzers rely currently on expensive IrO2 catalysts due to their favorable stability, RuO2 shows even higher activity at substantially reduced costs. In the present work, we explore a core-shell approach coating RuO2 on lattice-matched rutile oxides to potentially yield highly active, relatively inexpensive and chemically stable catalyst materials for water electrolysis. For a first characterization of RuO2 surfaces, we employed ab initio thermodynamics and the computational hydrogen electrode model to determine relative stabilities of pristine and hydrated surfaces as a function of applied potential. Relevant RuO2 structures at OER operating conditions are compared to core-shell designs, and key factors which further stabilize the system are discussed. Finally, we present thermodynamic reaction barriers for anodic water oxidation and illustrate potential OER pathways that demonstrate enhanced OER activity at surfaces of core-shell materials.