28.–30. Apr. 2026
DKFZ, Heidelberg
Europe/Berlin Zeitzone

Ontology-driven Data Curation and Knowledge Modeling for Catalyst Layers in Polymer Electrolyte Fuel Cells

P05
Nicht eingeplant
3m
Communication Center (DKFZ, Heidelberg)

Communication Center

DKFZ, Heidelberg

Im Neuenheimer Feld 280 69120 Heidelberg, germany
Poster 5. Advancing FAIR Metadata with AI: Methods, Challenges, and Synergies POSTERS & DEMOS - with Coffee

Sprecher

Marjan Kohandani (Theory and Computation of Energy Materials (IET-3), Institute of Energy Technologies, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany)

Beschreibung

Research data management in the hydrogen technology field is challenging because large volumes of heterogeneous data are produced [1]. Electrochemical technologies such as fuel cells and electrolyzers are multicomponent devices, with various manufacturing routes being followed and a wide range of characterization and performance measurements applied. The governing phenomena span multiple length and time scales, creating a complex parameter–property space [2], while data are reported with inconsistent standards and formats. In this work, we build a FAIR and searchable knowledge graph for a concrete use case: catalyst layers in polymer electrolyte fuel cells. Our approach consists of three phases. In the first phase, we define the scope of a domain research question and build an initial ontology. In the second phase, we screen the literature and create a PDF corpus, then extract and curate the data into a structured, machine-readable format guided by the ontology, including terminology alignment and unit harmonization for cross-study comparability. In the third phase, we map the curated dataset into a Neo4j knowledge graph and release it as a FAIR resource. Overall, as will be shown at the conference, this workflow enables standardized, traceable, and AI-ready datasets that can be reused across studies to accelerate data-driven discovery and decision-making.
[1] Dreger, M., Eslamibidgoli, M. J., Eikerling, M. H., & Malek, K. (2023). Synergizing ontologies and graph databases for highly flexible materials-to-device workflow representations. Journal of Materials Informatics, 3(1), N-A
[2] Liu, H., Ney, L., Zamel, N., & Li, X. (2022). Effect of catalyst ink and formation process on the multiscale structure of catalyst layers in PEM fuel cells. Applied Sciences, 12(8), 3776.

Alternative Track 5. From Minimum Requirements to FAIR and AI-Ready: Assessing Metadata Quality

Autor

Marjan Kohandani (Theory and Computation of Energy Materials (IET-3), Institute of Energy Technologies, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany)

Co-Autoren

Dr. Kourosh Malek (Theory and Computation of Energy Materials (IET-3), Institute of Energy Technologies, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany) Prof. Michael Eikerling (Theory and Computation of Energy Materials (IET-3), Institute of Energy Technologies, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany) Dr. Mohammad J. Eslamibidgoli (Theory and Computation of Energy Materials (IET-3), Institute of Energy Technologies, Forschungszentrum Jülich GmbH, 52425 Jülich, Germany)

Präsentationsmaterialien