Regensburg 2025 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
O: Fachverband Oberflächenphysik
O 58: Solid-Liquid Interfaces: Reactions and Electrochemistry II
O 58.3: Vortrag
Mittwoch, 19. März 2025, 11:00–11:15, H4
echemdb - a Database for Electrochemical and -catalytic Data of Metal Single-Crystal Electrodes — •Johannes Hermann1, Julian Rüth2, Nicolas G. Hörmann3, Nicolas Bergmann3, Karsten Reuter3, Timo Jacob1, and Albert K. Engstfeld1 — 1Institute of Electrochemistry, Ulm, DE — 2Julian Rüth GmbH, DE — 3Fritz-Haber-Institut der MPG, Berlin, DE
Over the last decades and still today, electrochemical and catalytic studies on metal single-crystal electrodes form the basis of our fundamental understanding of atomic-scale processes on such electrodes and more complex catalyst materials, such as supported nanoparticles, found in applications. So far, experimental data and information on the data are mostly only available as traces and plain text in published works, which limits the FAIR (findable, accessible, interoperable, and reusable) use of the data in further experimental and theoretical works. To mitigate this issue, we present an open-source community approach to store such data and metadata in a structured way in a dedicated database, using the frictionless framework combined with a simple metadata standard. We illustrate the challenges associated with setting up such a system for the underlying data types, highlight tools that allow recovering data from published works and storing new data from experimental and theoretical works similarly. We demonstrate that these tools are equally applicable to other research areas. Finally, we provide some examples of using such a database in daily routines (finding and comparing experimental and theoretical data) and system-specific studies (reusability).
Keywords: Electrocatalysis; Single crystals; electrochemistry; database