In the Catalysis and Surface Chemistry group, we investigate how catalysis works on the molecular level. The group is divided in six subgroups, focusing on different aspects of heterogeneous catalysis, homogeneous catalysis and electrocatalysis.

Promotor: J.W.M. Frenken, Co-Promotor: R. Felici

Promotor: M.T.M. Koper, Co-Promotor: L.B.F. Juurlink

Heterogeneous catalysis is essential to many industrial applications. These catalysts are often comprised of supported nanoparticles, which contain various different surface sites.

Promotor: J.W.M. Frenken Co-Promotores: I.M.N. Groot; L.B.F. Juurlink

Promotor: M.T.M. Koper, Co-Promotor: F. Calle-Vallejo

Fundamental understanding of molecular reactions on metal surfaces is important for improving heterogeneous catalysis.

Promotor: Prof.dr. J.W.M. Frenken

Heterogeneous catalyzed processes are highly significant to the chemical industry. Dissociative chemisorption (DC) of molecules on surfaces is always considered as a step with a high degree of rate control for heterogeneous catalysis.

The work in this thesis demonstrates how to obtain an atomic-scale picture of a diverse set of complex surface structures observed using STM, under disparate conditions.

Central in coordination and organometallic chemistry is the synthesis of new chelating ligands, the synthesis and characterization of metal complexes with these ligands, and the study of their properties. An important goal in my research is to create understanding of the relation between the structures…

Promotor: Prof.dr. G.J. Kroes

The local ordering of atoms at the surface of a metallic particle determines its catalytic activity and selectivity. As energy systems of the future will be based on efficient catalytic conversion of small molecules in closed cycles, we study how structural effects of catalysts can be used to our ad…

Promotores: P. Stevenhagen, L. van Geemen Co-promotor: R.M. van Luijk

Promotor: M.T.M. Koper, Co-promotor: J.B.F. Juurlink

Heterogeneous catalysis is one of the fundamental processes of modern life, being common in industrial refinery and hydrogen vehicles, all the way to the living cell. The dissociation of H2 on Cu(111) is an important benchmark system for studying heterogeneous catalysis, with a large and varied amount…

Despite the history of studies on methanol formation from CO2, the dominant elementary reaction steps that constitute the chemical mechanism for this catalyzed process are not determined.

The nanoscale structure of a catalyst under reaction conditions determines its activity, selectivity, and stability. For the production of sustainable energy and materials, new catalysts are needed. By understanding the structure-activity relationships of catalysts under reaction conditions, insight…

In the search for sustainable energy solutions, the idea of artificial photosynthesis has been proposed as an approach with which to use water and sunlight to produce hydrogen.

The main research theme in the group of Dennis Hetterscheid is to understand and mimic bioinorganic multi-electron processes that are relevant to our future energy infrastructure. Reduction of protons generates hydrogen that can be used as a chemical fuel. Alternatively to gaseous hydrogen, the reduction…

The focus throughout this thesis will be on gathering fundamental studies of the detailed structure and composition of the electrode/electrolyte interface effect on the rate and mechanism of key electrocatalytic reactions.

Promotor: G. J. Kroes

Surface Reaction Barriometry: Methane Dissociation on Flat and Stepped Transition-Metal Surfaces.

Promotores: P. Stevenhagen, L. van Geemen (Università degli studi di Milano), Co-Supervisor: Ronald M. van Luijk

Catalysis is of extreme relevance in the production of everyday materials and plays a central role in many aspects of our life.

Coordination chemistry is the chemistry of metal atoms

Curved single crystals provide variable, but well-defined surface structures.

In this thesis integral points on affine del Pezzo surfaces are studied.

Methods for accurately computing the interaction of molecules with metal surfaces are critical to understanding and thereby improving heterogeneous catalysis.

Several techniques are explored for going beyond the born-oppenheimer static surface model for molecule-surface reactions.

Surface plasmons (SPs) are surface waves at the interface between a dielectric and a good metal, and are formed by the interaction between light and the free electrons at the metal-dielectric interface. They provide strong field confinement for optical fields, opening new possibilities for enhanced…

Promotor: Peter Stevenhagen

Theorists have recently made substantial progress in simulating reactive molecule-metal surface scattering but still face major challenges. The grand challenge is to develop an approach that enables accurate predictive calculations of reactions involving electronically excited states with potential…

Promotor: P. Stevenhagen, Co-promotor: R.M. van Luijk

Improving environmental risk assessment of pesticides in surface waters

van Luijk

This thesis contains results on the arithmetic and geometry of del Pezzo surfaces of degree 1.In Chapter 1 we give the necessary background, assuming the reader is familiar with algebraic geometry.

This PhD thesis concerns the topic of arithmetic geometry. We address three different questions and each of the questions in some way is about counting how big some set is or can be.

This research focuses on the (Quantum) Dynamics (QD) of the reactive scattering of H2 from metal surfaces.

The research presented in this thesis makes use of small molecules (as H2 , D2 and O2 ) on well-defined single crystal surfaces (flat Pt(111), flat Cu(211) and curved Pt(111)) to elucidate the role of surface structure and degrees of freedom in the reactant in specific surface reactions.

In this thesis, rational points on K3 surfaces are studied. In the first part of Chapter 1 the Brauer group and the the Brauer-Manin obstruction are introduced.

Hydrogen fuel cells are expected to be pivotal in the energetic transition towards renewable energy sources such as solar and wind power. However, their industrial scalability is severely hindered by the high cost and degradation rate of platinum catalysts, one of their key components. Addressing this…

Promotor: M.T.M. Koper, Co-Promotor: L.B.F. Juurlink

The dissociative chemisorption of a molecule on a transition metal surface represents a rate-limiting step in many heterogeneously catalyzed processes, whereby most chemicals are made. In spite of the importance of this reaction, an accurate first principles approach to modeling it does not yet exist.…

In this thesis, we study different curved single crystals because of the diversity of surface structures across their curvature.

Can we tailor catalysts at the atomic scale by means of high-school chemistry and geometry rules?

Twenty years from now, the world population is estimated to be around 8.7 billion people, compared to the current 7.3 billion. In combination with the improvements in living standards and the corresponding growth in consumption, this will result in an enormous increase in the demand for food, consumables,…

Aim: To develop and enable application of a practical, flexible, user-friendly platform to provide the scientific community with a tool to generate land surface products and its associated uncertainties and exploit these for data-intensive science.

This perspective addresses four challenges facing theorists whose aim is to make quantitatively accurate predictions for reactions of molecules on metal surfaces, and suggests ways of meeting these challenges, focusing on dissociative chemisorption reactions of H2, N2, and CH4.