P-077

Vladislav Ivaništšev,ab and Nadezda Kongi,a

vladislav.ivanistsev@ut.ee, nadezda.kongi@ut.ee

Ritums Cepitis,a Jan Rossmeisl,c

aInstitute of Chemistry, University of Tartu, Tartu 50411, Estonia

bDepartment of Chemistry, University of Latvia, Jelgavas iela 1, LV-1004 Riga, Latvia

cDepartment of Chemistry, Center for High Entropy Alloy Catalysis, University of

Copenhagen, Universitetsparken 5, 2100 Copenhagen, Denmark

Five strategies of manipulating the scaling relations in electrocatalysis

This presentation discusses scaling relations, which are the correlations between the adsorption energies of various reaction intermediates. These relationships pose a significant limitation in electrocatalysis, particularly concerning the oxygen reduction reaction in fuel cells. To develop high-performance catalysts that operate with minimal overpotentials, it is crucial to address these inherent constraints.

In this presentation, we overview 20 years of research on scaling relations.1,2 We propose a classification of five general strategies to manipulate the scaling relations. From the meta-analysis, we have derived a new theoretical principle for electrocatalyst design: In multi-atom site catalysts, the optimal performance is reached when atoms are neither too far nor too close. We show how geometry plays an increasing role in oxygen electrocatalysis to prove that approach. As one of the most promising directions, we showcase geometry-driven catalysis, which shifts the paradigm from compositional tuning to the deliberate engineering of catalyst geometry.

We will explore a novel class of geometry-adaptive materials that employs innovative strategies to break, switch, and bypass the most common OH–OOH scaling relation.1,2 With our original research and examples from literature, we demonstrate the role of geometry by combining computer simulations modeling, rational synthesis, structural characterization, and electrochemical testing.

References

1 V. Ivaništšev, R. Cepitis, J. Rossmeisl, N. Kongi, Scaling Relations in Oxygen Reduction Reaction Electrocatalysis. ChemRxiv. 2024; doi:10.26434/chemrxiv-2024-csxt9

2 R. Cepitis, V. Ivaništšev, J. Rossmeisl, N. Kongi, Catal. Sci. Technol., 2024, 14, 2105-2113; doi: 10.1039/D4CY00036F

Acknowledgement

This work was supported by the Estonian Ministry of Education and Research (TK210), the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement no. 101031656, and by the Danish National Research Foundation Centers of Excellence, the Center for High Entropy Alloys Catalysis (DNRF149), and the Independent Research Fund Denmark (0217-00014B).