Research Projects
Konstantinos Kappis, Mino Borrelli, Daniel Delgado
Catalytic Hydrogenation for the Valorization of Carbon Dioxide
In the pursuit of carbon neutrality, the catalytic hydrogenation of CO2 using renewable H2 is considered a promising route for the production of fuels and chemicals, while its integration with carbon capture and utilization processes (ICCU) provides an alternative and innovative approach for the synthesis of value-added products. Even though the formation of C1 molecules by CO/CO2 hydrogenation is well established, the synthesis of C2+ products is more attractive due to their higher volumetric and energy densities. In this work, structure-function relationships for the selective formation of C2+ products by CO2 hydrogenation in direct and tandem reactions as well as the implementation of ICCU processes are investigated.
Anh Binh Ngo, Baris Alkan
Ammonia Decomposition
As a promising chemical storage medium for hydrogen, the thermal decomposition of ammonia using non-precious metal catalysts, such as Co, Ni, and Fe, has recently gained significant attention. In our work, we are exploring new avenues for the synthesis of such catalysts. We prepare nanostructured oxide precursors that contain both the active element and potential promoters in their crystal structure and generate metal nanoparticles that exhibit exceptional metal-support/promoter interactions by exsolution or decomposition during reductive pretreatment or under operation conditions. We have chosen spray-flame synthesis (SFS) and continuous-flow hydrothermal synthesis (CFHS) as preparation methods for the oxide precursors, as nanoparticles can be obtained continuously. With regard to the crystal structures of the precursors, we focus on rock salt structures, spinels and perovskites.
Julia Schumann
FAIR Data and Digital Catalysis
Catalysis research generates a vast amount of complex data, which can be difficult to manage, share, and reuse effectively. To address these challenges and enable future AI-assisted catalysis development, an infrastructure tailored to catalysis research has become an urgent need. This infrastructure should ensure that data is Findable, Accessible, Interoperable, and Reusable, according to the FAIR data principles. In this regard, first, we are working at the individual research laboratory level, moving from manual, paper-based documentation, to digitalization of laboratory documentation and automated experiments. Second, we are contributing to the development of a controlled vocabulary, ideally captured in a standardized ontology, and an agreement on reporting standards and mandatory metadata that must accompany any publication with catalysis data. And third, we are designing an overarching repository to share, analyze and compare published catalysis data.