Design of model catalysts for CO2 hydrogenation to methanol based on gas-phase synthesized nanoparticles of palladium mixed with post-transition metals

• Applicant: Professor Dr. Malte Behrens
• Subject Area: Solid State and Surface Chemistry, Material Synthesis
• Term: since 2026
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 569061477

Methanol has great potential as power-to-liquid molecule. It can be produced directly from captured anthropogenic CO2 and green hydrogen, addressing both climate change and energy supply issues. Whereas Pd-based catalysts mixed with (post) transition metals are the most active for this reaction, improving their performance is hindered by their complex and dynamic nature, which challenges the identification of the active sites. We will design novel CO2 hydrogenation catalysts based on gas-phase synthetized bi- and tri-metallic nanoparticles that combine Pd with post-transition Zn, In, Ga, Al metals. These particles will be deposited on flat supports with high control over size, composition and oxygen content using cluster beam deposition and their catalytic activity will be tested under realistic conditions in a novel microreactor. The most promising catalysts will be characterized ex situ by SEM, STEM and XPS, and under realistic operating conditions by XAFS and high-resolution MES-DRIFTS to unravel dynamical changes under reaction conditions, active sites and intermediate molecules in the reaction pathway. These experiments will guide quantum chemical calculations to further increase our understanding of the CO2 hydrogenation mechanism. Correlating theoretical insights with the structure, oxidation state, and charge of the nanoparticles and their catalytic activity and selectivity, will contribute to the rational design of a novel generation of CO2 hydrogenation catalysts.

• DFG Programme: Research Grants
• International Connection: Belgium
• Co-Investigator: Dr. Sharif Najafishirtari
• Cooperation Partners: Dr. Didier Grandjean; Professor Dr. Ewald Janssens