Rationale

In the chemical industry the majority of processes are facilitated by catalysts. Renewable and green energy scenarios also rely heavily on electro-catalysts, photocatalyisis, e.g., for the production of hydrogen. Materials that are currently dominating the market that act as catalysts, are those mainly supported by nobel metal elements (i.e., Pt, Ru, Ir), which will thus hinder respective market viability due to the high cost and scarcity of these elements. Extensive work has consequently been devoted to the search of alternative and cost-effective materials to improve catalytic efficiency. 

Moreover, application of surface chemistry to study cosmic dust grains, that interact with interstellar gas, play the role of active catalyst materials for the formation of complex organic molecules. This feature opens the door for experiments and calculations on the surface formation (at low temperatures) of interstellar and circumstellar molecules, being important in the chemistry of star and planet-forming regions. 

While the discovery of catalysts has often relied on trial and error experimental techniques, the establishment of design rules has significantly improved the speed with which new catalysts are being discovered. Computational modelling is the key component of catalysis research and calculations are very useful since these provide an interpretation of spectroscopic data and verification of catalytic mechanisms. 

Scientific Topics

The meeting program covers several fundamental topics:

• Theoretical framework for catalysis modeling
• Heterogeneous or homogeneous (photo)catalysis
• Nanostructures vs bulk properties
• Pressure/Strain induced effects for catalysis
• Topological material catalysis
• Surface chemistry of refractory dust grains