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

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

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

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

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…

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.

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

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.

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 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…

This thesis has shed light on some of the ways in which the local electrolyte composition can differ from the bulk and how these changes in the local reaction environment can determine the activity and/or selectivity of two important electrocatalytic reactions, namely, electrochemical CO2 reduction…

Promotor: M.T.M. Koper, Co-promotors: A.I. Yanson, L.B.F. Juurlink

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 adsorption of D2 and CO2 on catalyst surfaces is studied using a molecular beam in ultra-high vacuum.

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

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

Tin electrodeposition applications have rapidly evolved in the past 25 years.

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…

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

Promotor: Prof.dr. G.J. Kroes

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…

In most applications, electrocatalysts exhibit a large surface area to volume ratio, for example using nanoparticles.

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

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.

Promotor: G. J. Kroes

In this thesis, we consider various (electro)chemical phenomena at surfaces and nanoparticles and their underlying atomistic processes, which we studied using first-principles methods such as density functional theory.

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.

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

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

In surface science there is great effort to move from studying simple, flat model surfaces in vacuum to investigating more complex model catalysts in gas environments (in situ). This thesis gives three examples of such studies using microscopy and spectroscopy.

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

Molecular complexes can be used as electrocatalysts for oxygen reduction, water oxidation, and/or hydrogen peroxide production.

Coordination chemistry is the chemistry of metal atoms

This thesis focuses on the synthesis, characterization and performance towards CO2 electroreduction of mono and bi-metallic particles based on p-block metals

Promotor: Peter Stevenhagen

Before the large scale use of renewable energy sources can be implemented in our society, the storage of electrical energy needs to be tackled. Storage the energy as hydrogen via the reduction of protons is a good option.

In this dissertation iron-based homogeneous catalysts were synthesized, characterized and investigated for water oxidation activity.

Improving environmental risk assessment of pesticides in surface waters

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

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…

Bicarbonate buffer is largely found in nature due to its ability to regulate pH variations around neutral values. As the pH changes, so does the speciation of the buffer.

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.

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

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.