Research in the Otten group centers on molecular chemistry applied to two central themes: energy storage and catalysis.

Research in the Otten group is positioned at the interface between molecular synthesis, physical (in)organic chemistry, and electrochemistry. A core expertise is the synthesis and characterization of air-sensitive compounds, such as organometallic catalysts and high-energy species involved in energy storage (e.g., batteries). 

We focus on the development of strategies to replace scarce metal elements by non-critical alternatives. In catalysis, we make use of reactive ligands to augment metal-centered processes, including electron-transfer and substrate activation. Taking the reactivity of molecular complexes with these ‘non-innocent’ ligands as a starting point, we aim to develop new chemical transformations and study their mechanism.

A second line of research in the Otten group relates to molecular materials for energy storage applications, for example in redox flow batteries. The majority of current battery technologies rely on the use of scarce transition metals ions for charge storage. We design and synthesize new redox-active organics as alternatives charge-storage materials in battery applications. Specifically, my research in this area focuses on understanding the molecular processes that are involved in capacity fade, to improve the lifetime of organic batteries.

The Havenith / Quantum Chemistry group works on method development, magnetic properties, organic photovoltaics, non orthogonal configuration interaction and valence bond theory.

The group participates in the FOM Focus group ‘Next Generatation Organic Photovoltaics’ and contributes to the Modeling and Theory line in this group. This line focusses on the prediction of (material) properties from molecular structure using electronic structure methods, and on the prediction of the performance of the solar cell from material properties using an optoelectronic device model.

Relevant questions for a directed design of new photovoltaic materials are concerned with the relation between structure and photo-excitation, exciton mobility in polymers, electron/hole transfer in interfaces, and stability and durability. To answer these questions, state-of-the-art Density Functional Theory (DFT) and ab initio calculations will be performed. For interpretation of the results in terms of chemical concepts, Valence Bond theory will be used.