September 24, 2026
Universität Konstanz
Europe/Berlin timezone

Multi-Scale Modeling of Electrochemical Interfaces and Processes

Sep 24, 2026, 2:40 PM
15m
M629 (Universität Konstanz)

M629

Universität Konstanz

Universitätsstraße 10, 78457 Konstanz
Talk (15 min) Talks

Speaker

Timo Jacob (Universität Ulm)

Description

Batteries, fuel cells, photocells and many other applications are powered by fundamental electrochemical processes. Compared to surface science under UHV conditions, electrochemical systems combine a wide variety of additional effects. These range from the presence of an electrolyte and a multi-component environment to reaction conditions such as finite temperature, pressure, and electrode potential. Due to this complexity our knowledge of the ongoing processes is mostly limited to the macroscopic regime. However, nowadays interface-sensitive experiments together with theoretical modeling are able to provide deeper insights into structures and processes at the atomic level. This
fundamental knowledge makes the development and/or design of improved (electro)catalysts possible.
In this talk, we will compare the concepts of surface science and electrochemistry in detail, addressing both their similarities and differences. Using apparently simple electrocatalytic reactions as model systems, the effects of the reactive surrounding as well as environmental parameters will be successively explored. It turns out that pure and perfect catalyst models, which are often used in literature, are in many cases insufficient. Afterwards, these concepts will be extended from single crystals to the nanoregime, where nanostructured surfaces and particles are often used for electro-catalytic reactions. Taking transition metal alloys as an example, we will show that nanoparticles are not rigid objects but often change their morphologies and compositions under reaction conditions. Thus, understanding the dynamic nature of these catalysts is crucial in our efforts to further extend our ability to rationally design multi-component (electro-)catalysts.

Author

Timo Jacob (Universität Ulm)

Presentation materials

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