Jonas Himmelstrup

The goal of the project is to study highly active homogeneous catalysts for ammonia synthesis from dinitrogen using validated quantum chemical methods. From this study one can find which properties that differentiate a good catalyst from a bad. This is subsequently used to design new and more active catalysts for the reaction. The designed catalysts are then synthesized in the laboratory and evaluated experimentally. Here, knowledge from the experimental performance of the catalysts can be used in further catalyst design.