Promotor: Prof.dr. G.J. Kroes

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

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

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

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

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

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…

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…

Ineke Smit defended her thesis on 17 September 2019

Lecture

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.

Fearing a trade-off with economic growth, countries feel discouraged to cut their CO2 emissions. But do the two really not go together? Environmental scientist Ranran Wang and her colleagues investigated the relationship between economic growth and CO2 emissions in 73 countries from 1970 to 2016. Wang:…

Two students from the Leiden-Delft MSc Industrial Ecology programme have made a carbon footprint calculator for the website www.doemaarduurzaam.nl; the website where the Dutch public broadcasting organisations collect everything broadcasted about sustainability. The carbon footprint calculator allows…

A catalyst: normally a substance that speeds up a chemical reaction, without adding molecules to this reaction. Scientists from the group of Prof. Marc Koper of Leiden University and Prof. Yang Shao-Horn of MIT now discovered that in specific reactions that need oxygen, catalysts called metal oxides…

What would be the environmental performance of the Carbon4PUR technology at industrial scale in the future?

An accurate description of reactive scattering of molecules on metal surfaces often requires the modeling of energy transfer between the molecule and the surface phonons. Although ab initio molecular dynamics (AIMD) can describe this energy transfer, AIMD is at present untractable for reactions with…

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…

Electrolysis is a technique that can be used to convert CO2 into fuels and other useful products. To do this efficiently and on a large scale, however, we need to understand exactly how electrolysis works. Professor Marc Koper is an expert in this field.

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,…

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.

A tax on CO2 emissions from products entering the EU offers unprecedented opportunities in the fight against global warming. That is the conclusion of research on which Leiden environmental scientist Hauke Ward collaborated. ‘A new world is opening up,’ Ward says. ‘But success hinges on how we involve…

How can we reduce CO2 emissions from industry? Leiden psychologists Emma Mors and Christine Boomsma are examining the public perception and acceptance around the capture and storage of carbon dioxide. This is part of the ALIGN CCUS European research programme.

The University's CO2 footprint has once again decreased. This is the conclusion of the 2022 Sustainability Report. The report also concludes that steps have been taken to integrate sustainability into Leiden University education and research.

Imagine we could convert the greenhouse gas CO2 into synthetic fuels using sustainable energy. This would enable us to reduce the amount of CO2 and at the same time store wind and solar energy in an innovative way. Chemist Akansha Goyal (Leiden University) is conducting fundamental research to make…

Bioenergy with carbon capture and storage (BECCS) is a promising method for removing carbon dioxide (CO2) from the atmosphere and simultaneously generating energy. Yet this method is controversial, as it may require a great deal of land and water. Researchers at Leiden University have now proposed a…

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.

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.

As a virtually inexhaustible source, solar energy plays a major role in future global energy scenarios.

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

The redox-conversion reaction of metal-disulfide and metal-thiolate complexes are important, as they may shed light on electron-transfer reactions that often occur in Nature.

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

The chemical industry must continue to innovate for a more sustainable, healthier society. The reseachers from the Leiden Institute of Chemistry (LIC) contribute by applying their knowledge to themes such as sustainability, energy and health.

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.

Leiden University continued to reduce its carbon footprint in 2021 by being more careful with natural resources and making structural reductions to its energy consumption. This is what it says in the Sustainability Report 2021.

Research at the Catalysis and Surface Chemistry group is comprised of the following research themes:

Promotor: G.A. van der Marel, Co-promotor: J.D.C. Codée

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.

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

We review the state-of-the-art in the theory of dissociative chemisorption (DC) of small gas phase molecules on metal surfaces, which is important to modeling heterogeneous catalysis for practical reasons, and for achieving an understanding of the wealth of experimental information that exists for this…

To design the ideal water oxidation catalyst, understanding of the catalytic mechanism and decomposition pathways is essential.

Twenty years from now, the world population is estimated to be around 9 billion people (now 8 billion). In combination with the improvements in living standards and the corresponding growth in consumption, this population will result in an enormous increase in the demand for food, consumables, water…

Using N2 dissociation on Ru(0001) as a representative showcase (for catalysts employed in the Haber-Bosch process), we have shown for the first time that non-adiabatic effects can substantially reduce a molecule’s dissociation probability on a metal surface. These effects are currently completely unaccounted…

Huub de Groot is professor in Biophysical Organic Chemistry. With his team he works in the field of photosynthesis and artificial photosynthesis. The molecular basis for photosynthesis is formed by protein complexes and organelles that contain chlorophyll molecules. The antenna systems herein capture…

Marc Koper, Professor of Catalysis and surface chemistry, has won the Brian Conway Prize for Physical Electrochemistry of the International Society of Electrochemistry (ISE). The ISE jury chose Koper as the winner due to his outstanding contributions in the field of physical electrochemistry.

In this thesis we study bistable reaction-diffusion equations on lattice domains.

Lecture