In our research, we develop organometallic and organo-main group catalysts for small molecule activation of environmental significance and industrial relevance. Especial focus is addressed to the cooperative role of ligands in harnessing the p-block and transition metal complexes in molecular catalysis.
Her research focus is on the synthesis of catalytic nanomaterials, heterogeneous catalysis, surface functionalization and circular plastics.
We use quantum chemistry and theoretical spectroscopy to study the electronic structure and functional principles of inorganic systems containing transition metals or main group elements.
At the SURFCE group, we focus on studying surface structure-performance relations in heterogenous electro- and thermo-catalysts for the valorisation of small molecule renewable feedstocks.
We use various experimental/characterization methods as well as mathematical and computational approaches to study the key reaction steps and chemical species that are important for efficient catalytic transformations.
We perform first principles studies of the mechanisms of atomic level processing, that is Atomic Layer Deposition (ALD), self-limiting thermal Atomic Layer Etch (ALE) and hybrid Molecular Layer Deposition (MLD), delivering deep insights into potential processes and predicting new process chemistries.
We design scalable nanomaterials with desired physicochemical properties for thermo- and electrocatalytic applications such as thermochemical energy storage and water electrolysis for industrial applications. To manage this we use in-situ synchrotron characterisation techniques to unravel reaction mechanisms at the nanoscale and to deeply understand the structure-function relationships.
We study the preparation, characterization and application of solid phase catalysts in a range of reactions of interest in Environmental and Sustainable Chemistry.
We use molecular modelling to bridge theory and experiment in catalysis by integrating atomistic models, reaction networks, and kinetic data into multi-scale models to address material behaviour under varying conditions.