GRK 2376:  Confinement-Controlled Chemistry

• Subject Area: Physical Chemistry ; Analytical Chemistry ; Molecular Chemistry ; Theoretical Chemistry
• Term: since 2018
• Website: Homepage
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 331085229

“Confinement-Controlled Chemistry” interconnects eminent fundamental scientific challenges in diverse fields such as energy technology, catalysis, and biomedicine. Confinement is also inherently controlling processes in environmentally relevant technologies, for example, ion-selective membranes for desalination, morphologically controlled heterojunctions in photovoltaics, electrodes for batteries, or selective ion receptors in nuclear waste treatment. Artificial enzymes or porous solids enhance reaction yields in catalysis based on confinement effects. While it is presumed that the confinement to nanoscale dimensions alters the transition states and pathways of chemical reactions, the use of state-of-the-art experiments and theoretical models to understand the fundamental principles of chemistry and catalysis in these systems remains in its infancy. We propose that confinement can ultimately be used to control essential factors that guide chemical transformations. For this purpose, a range of experimental and theoretical tools were developed in the first funding period, involving researchers of the Ruhr-Universität Bochum, TU Dortmund University, and the University of Duisburg-Essen. We propose to apply these newly-developed tools in the second funding period to address the fundamentals of “Confinement-Controlled Chemistry” for two prototypical reaction classes, namely photoinduced and charge-driven processes. Understanding the microscopic details of purely geometrical confinement effects will serve to develop recipes to utilise the full potential of purposely designed and modulated nanoconfinement to promote and steer specific chemical reactions. The scientific approach will combine supra-molecular chemistry, electrochemistry, synchrotron-based X-ray scattering and spectroscopy, linear and nonlinear vibrational spectroscopy, single-molecule imaging, and theoretical methods, including quantum chemical calculations, force field molecular dynamics, and free energy simulations. We collaborate because our theory, spectroscopy, supramolecular synthesis, and surface science efforts are complementary, leading to new advances in the emerging field of “Confinement-Controlled Chemistry”. The PhD students of the graduate school will enormously benefit from the intellectual exchange amongst each other and with the advanced RTG researchers using the unique facilities within the RTG consortium and at its collaboration partners. A dedicated education programme serves the PhD students to understand and discuss scientific results from all participating groups within the RTG, channelling much broader knowledge about the topic and the methods involved than is usual at the end of a successful PhD project. In addition, the soft skills promoted within the programme will qualify them for superior positions either in industry or academia.

• DFG Programme: Research Training Groups
• Applicant Institution: Ruhr-Universität Bochum
• Participating Institution: Technische Universität Dortmund; Universität Duisburg-Essen
• Spokesperson: Professorin Dr. Karina Morgenstern
• Participating Researchers: Professor Dr. Guido Clever; Dr. David Van Craen; Professorin Dr. Martina Havenith-Newen; Professor Dr. Christian Merten; Professor Dr. Patrick Nürnberger, until 9/2021; Professor Dr. Axel Rosenhahn; Professor Dr. Wolfram Sander; Professor Dr. Lars Schäfer; Dr. Christopher J. Stein; Professorin Dr. Kristina Tschulik