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
A. Forslund, J. H. Jung, Y. Ikeda and B. Grabowski
npj Comput Mater 2026 12, 14
S. Itzigehl, T. Ott, A.-K. Ströhle, H.-H. Nguyen, R. Talei, N. Ay, M.W. Terban, M. Dyballa, G. Schmitz, D. P. Estes and J. R. Bruckner
Micropor. Mesopor. Mater. 2025
X. Tan, B. Atwi, H. B. Duc, M. R. Buchmeiser and F. Giesselmann
ChemRxiv. 2025
S. Bhattacharya, M. Högler, J. R. Bruckner, B. Atwi, N. Hansen, F. R. Fischer and M. R. Buchmeiser
ChemRxiv. 2025
J. H. Jung, T. Schächtel, Y. Ou, S. Itzigehl, M. Högler, N. Hansen, J. R. Bruckner and B. Grabowski
Mater. Sci. 2025
L. Rautenbach, M. Nandeshwar, E. Goldstein, M. Högler, M. Häußler, A. Allgaier, A. Bauer, D. Hornung, A. Beck, C. Franke, J. Osterbrink, J. R. Bruckner, J. Kästner, J. van Slageren, J. Pleiss, N. Hansen, M. R. Buchmeiser and R. Peters
ChemRxiv. 2025
B. Atwi, D. Wang, J. R. Bruckner, W. Frey and M. Buchmeiser
Catal. Sci. Technol., 2025, 15, 7059-7066.
P. Kumar, F. Körmann, B.Grabowski and Y. Ikeda
Acta Materialia 2025, 297, 121319.
J. Zhang, X. Xu, F. Körmann, W. Yin, X. Zhang , Ch. Gadelmeier , U. Glatzel, B. Grabowski, R. Li, G. Liu, B. Wang, G. Wilde and S. V. Divinski
Acta Materialia 2025, 297, 121283.
P. Probst, M. Lindemann, J. R. Bruckner, B. Atwi, D. Wang, F. R. Fischer, M. Högler, M. Bauer, N. Hansen, M. Dyballa and M. R. Buchmeiser
J. Am. Chem. Soc. 2025, 147, 8741–8750.
M. Marshall, Z. Dilruba, A.-K. Beurer, K. Bieck, S. Emmerling, F. Markus, Ch. Vogler, F. Ziegler, M. Fuhrer, S. S. Y. Liu, S. R.Kousik, W. Frey, Y. Traa, J. R. Bruckner, B. Plietker, M. R. Buchmeiser, S. Ludwigs, S. Naumann, P. Atanasova, B. V. Lotsch, A. Zens and S. Laschat
Eur. J. Org. Chem. 2024, 27, e202400283.
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.
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