- Project leader(s)
Mesoporous metallo-silicates with defined electronic and geometric properties: A combined experiment-theory approach
In a combined experiment-theory approach, project A04 will not only produce tailor-made ordered mesoporous metallo-silicates (OM2S) for optimized catalytic applications, but also create a profound understanding of their electronic structure and resulting properties. We will prepare OM2S by true liquid crystal templating with various metals, striving for a precise control of properties, such as pore diameters, Brønstedt and Lewis acidities, etc. We will underpin the experimental work by simulations utilizing density-functional-theory and moment tensor potentials, which will provide crucial insights into the kinetics and electronic structure of the materials, thus resulting in a holistic picture of the materials.
Research focus in the first funding period (2018-2022): Controlled synthesis of mesoporous silica materials
Former PIs: Prof. Dr. Frank Gießelmann, Prof. Dr. Yvonne Traa
M. Kirchhof, K. Gugeler, A.-K. Beurer, F. R. Fischer, D. Batman, S. M. Bauch, S. Kolin, E. Nicholas, R. Schoch, Ch. Vogler, S. R. Kousik, A. Zens, B. Plietker, P. Atanasova, S. Naumann, M. Bauer, J. R. Bruckner, Y. Traa, J. Kästner and Sabine Laschat Catal. Sci. Technol., 2023, 13, 3709-3724.
A.-K. Beurer, S. Dieterich, H. Solodenko, E. Kaya, N. Merdanoǧlu, G. Schmitz, Y. Traa and J. R. Bruckner Microporous Mesoporous Mater. 2023, 354, 112508. The publication can be downloaded free of charge and without registration until May 11, 2023 via the following link: https://authors.elsevier.com/a/1gnb54xQ964rdP