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

This thesis advance our understanding and the application of molecular catalysts relevant to the reduction of oxygen as well as reduction of nitrite.

This thesis investigates reactive interfaces in surface science across three domains: heterogeneous catalysis, environmental nanoplastics, and two-dimensional materials.

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

M.T.M. Koper, Co-promotor: D.G.H. Hetterscheid

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.

The goal of this thesis is to understand how interfacial parameters, such as the addition of organic additives, bulk pH or metal cations of the electrolyte, affect the relevant electrocatalytic reactions, i.e. electrochemical CO2 reduction reaction or hydrogen evolution reaction.

This dissertation focused on computational methods based on first principles calculations using the Density Functional Theory (DFT) framework. Emphasis was laid on affordable methods that can provide a tradeoff between computational expense and accuracy.

In eight chapters, the thesis of Rafaël Vos covers the effect of temperature and pressure on the electrochemical CO2 reduction.

In this thesis we have discussed several parameters that affect the electrochemical conversion of enviromentaly harmful molecules such as nitrates and carbon dioxide to more valuable and less deleterious compounds, in order to cast light onto the mechanism of the reaction to achieve an efficient and…

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

With the energy transition toward a renewable energy supply and a CO2-neutral economy, electrification of the energy system is rising in importance, which leads to the challenge of long-term storage of renewable electricity.

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.…

Hydrodesulfurization (HDS) is an ubiquitous part of oil refining that ensures that fuels are cleaned of impurities and environment release of pollutants such as SOx and NOx gasses are minimized.

This work describes several studies into the electroreduction of carbon dioxide (CO2RR), both regarding mechanistical aspects and catalyst stability considerations. Mechanistic insights into carbon-carbon bond formation on a silver catalyst are described in Ch 2, were we find an acetaldehyde-like surface…

The role of the interfacial environment during electrochemical reactions has been increasingly valued, especially for those reactions involving protons or hydroxyl ions.

Voltammetry plays a crucial role in modern scientific research by offering valuable insights into the electrochemical properties of materials, with wide-ranging applications in fields such as materials science, energy storage, corrosion studies, and sensor development.

Electrocatalysis allows for storing electricity or converting it into chemical bonds, producing chemical building blocks and fuels using renewable resources.

Cathodic corrosion is a relatively unknown phenomenon that can severely etch metallic electrodes at cathodic (negative) potentials.

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…

Sustainable energy from wind and solar is most readily available near the sea.

Humanity stands at a pivotal juncture, facing the dual challenge of environmental sustainability and rapid population growth, projected to exceed 11 billion by century’s end.

Promotor: M.T.M. Koper, Co-promotor: L. Juurlink

Carbon dioxide capture and utilization technologies are necessary to create a truly circular economy. The electrochemical reduction of carbon dioxide to formate is an appealing carbon utilization method as it can be performed at room temperature and pressure, it only requires two electrons, and it has…

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.

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…

This thesis comprises the development of reproducible synthesis procedures for two-dimensional materials (composed of boron, nitrogen and carbon) on different metallic surfaces.

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

This project aims at determining the market value of hydrogen peroxide (HP) that is produced via our electrochemical methods that have been developed as part of the ERC-StG Cu4Energy project.

Hydrogen peroxide (H2O2) generation via electrochemical oxygen reduction is a sustainable production method for this bulk chemical. However, the selectivity of molecular catalysts for electrochemical H2O2 generation has hardly been investigated in a systematic manner, and it is unknown if their stability…

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

How can rare and expensive materials be used more efficiently to produce cleaner and cheaper fuel? Under the guidance of Marc Koper, Professor of Catalysis and Surface Chemistry, international teams of scientists have published 3 articles in Nature Communications.

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

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,…

An objective of this research was to achieve direct, well-defined and non-rate-limiting electron transfer between respiratory enzymes and the electrode surface by means of 'Q-wires'.

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

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The mechanism of the electrochemical reduction of dioxygen by a mononuclear pyridylalkylamine copper complex was investigated (see picture). It was shown that in neutral aqueous solution dioxygen undergoes stepwise reduction, wherein hydrogen peroxide plays a key role. The rate constants determined…

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

The "Van Marum Colloquia" are a collaborative lecture series between the LION and LIC institutes, focusing on fundamental and applied surface science.

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…

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

To construct catalysts that can produce fuels from CO2 innumerable times, we need to learn much more about how catalysis works. Irene Groot is conducting groundbreaking research into catalysis at the atomic level.

Marc Koper’s research focuses on electrocatalysis and electrochemical surface science for sustainable energy and chemistry. Reactions of interest are the redox reactions of the oxygen/hydrogen cycle (water oxidation, hydrogen evolution), the carbon cycle (reduction of carbon dioxide, oxidation of small…

The transition to new and renewable energy sources should be completed by 2050. Researchers in various disciplines at Leiden University are conducting unique research that will help us make this transition and reduce CO2 emissions.