Collaborative Research Center 1333
Molecular Heterogeneous Catalysis in Confined Geometries
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
F. Ziegler, J. R. Bruckner, M. Nowakowski, M. Bauer, P. Probst, B. Atwi, M. R. Buchmeiser ChemCatChem, 2023,15 (21), e202300871.
K. Gubaev, V. Zaverkin, P. Srinivasan, A. I. Duff, J. Kästner and B. Grabowski npj Comput Mater 2023, 9, 129.
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
C. Rieg, M. Kirchhof, K. Gugeler, A. Beurer, L. Stein, K. Dirnberger, W. Frey, J. Bruckner, Y. Traa, J. Kästner, S. Ludwigs, S. Laschat and M. Dyballa Catal. Sci. Technol., 2023,13, 410-425.
Ch. Vogler, S. Naumann and J. R. Bruckner Mol. Syst. Des. Eng., 2022,7, 1318-1326.
A.-K. Beurer, J. R. Bruckner and Y. Traa ChemistryOpen 2021, 10, 1123 – 1128.
F. Ziegler, H. Kraus, M. J. Benedikter, D. Wang, J. R. Bruckner, M. Nowakowski, K. Weißer, H. Solodenko, G. Schmitz, M. Bauer, N. Hansen and M. R. Buchmeiser ACS Catal. 2021, 11, 11570-11578.
Z. Li, M. Benz, C. Rieg, D. Dittmann, A.-K. Beurer, D. Häussermann, B. Arstad and M. Dyballa Mater. Chem. Front. 2021, 5, 4254-4271.
J. R. Bruckner, J. Bauhof, J. Gebhardt, A.-K. Beurer, Y. Traa and F. Giesselmann J. Phys. Chem. B 2021, 125, 3197–3207.
A.-K. Beurer, M. Kirchhof, J. Bruckner, W. Frey, A. Baro, M. Dyballa, F. Gießelmann, S. Laschat and Y. Traa ChemCatChem 2021, 13, 2407 – 2419.
Z. Li, C. Rieg, A. K. Beurer, M. Benz, J. Bender, Ch. Schneck, Y. Traa, M. Dyballa and M. Hunger Adsorption 2021, 27, 49–68.
F. Markus, J. R. Bruckner and S. Naumann Macromol. Chem. Phys.2020, 221, 1900437.
