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…

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

Promotor: Prof.dr. H.V.J. Linnartz, Co-Promotores: H.M. Cuppen, S. Ioppolo

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

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

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

Promotor: G. J. Kroes

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: L.B.F. Juurlink

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

The research aim of the Catalysis and Surface Chemistry group headed by Prof. Marc Koper is to probe and understand chemical reactions on well-defined, mostly single crystalline, surfaces at the molecular level.

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

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

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

This meeting will be devoted to recent advances in the operando investigation of reactivity at surfaces from both experimental and theoretical points of view.

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…

Improving environmental risk assessment of pesticides in surface waters

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

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.

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.

The dissociation of CH4 into CH3 + H on a metal surface is the rate determining step in processes which produce hydrogen, such as steam reforming and catalytic partial oxidation. Ultimately, we want to study the dissociation of methane on Ni(111) and Pt(111) quantum mechanically while taking into account…

Is it possible to successfully design self-assembling nano-scale protein skeletons for use as a vaccine platform?

Promotor: Prof.dr. G.J. Kroes

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.

How can we make make accurate predictions for reactions of molecules on metal surfaces?

From surface science towards industrial practice using high-pressure scanning tunneling microscopy.

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.

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

Advanced sensing techniques require graphene with high quality and well-controlled surface chemistry.

It is possible to treat the dynamics of the dissociation of hydrogen on metal surfaces quantum mechanically, while taking into account the motion in all six molecular degrees of freedom without making approximations. Because the approximations of neglecting surface phonons and electron-hole pair excitation…

Promotor: H.V.J. Linnartz

Promotor: E. Bouwman, Co-promotor: S. Bonnet

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

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

Like a mixture of oil and water, lipid membranes separate into two liquid phases.

The surface and the edges of graphene are expected to provide higher sensitivity and specificity in detecting and characterizing single molecules. However fundamental physical limits exist in reaching an ultimate precision in detecting the dynamics of chemical and biological systems. The research in…

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

Juurlink

PhD Defence

PhD Defence

The dissociative chemisorption of methane on metal surfaces is of fundamental and practical interest, being a rate-limiting step in the steam reforming process. The reaction is best modeled with quantum dynamics calculations, but these are currently not guaranteed to produce accurate results because…

Aqueous solutions of proteins and carbohydrates separate into two parts with an extremely ‘soft’ boundary surface. The surface tension between these two parts can be manipulated, for example by adjusting the pH balance. This can be used to develop emulsions of a water-based solution in another aqueous…