Predictive design of ordered mesoporous silica with well-defined, ultra-large mesopores
Ch. Vogler, S. Naumann and J. R. Bruckner Mol. Syst. Des. Eng., 2022,
Project A04
Mesoporous metallo-silicates
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
Influence of the Template Removal Method on the Mechanical Stability of SBA-15
A.-K. Beurer, J. R. Bruckner and Y. Traa ChemistryOpen 2021, 10, 1123 – 1128.
Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes
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.
The alumination mechanism of porous silica materials and properties of derived ion exchangers and acid catalysts
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.
Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials
J. R. Bruckner, J. Bauhof, J. Gebhardt, A.-K. Beurer, Y. Traa and F. Giesselmann J. Phys. Chem. B 2021, 125, 3197–3207.
Efficient and Spatially Controlled Functionalization of SBA‐15 and Initial Results in Asymmetric Rh‐Catalyzed 1,2‐Additions under Confinement
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.
Effect of aluminum and sodium on the sorption of water and methanol in microporous MFI-type zeolites and mesoporous SBA-15 materials
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.
Controlled Synthesis of “Reverse Pluronic”-Type Block Copolyethers with High Molar Masses for the Preparation of Hydrogels with Improved Mechanical Properties
F. Markus, J. R. Bruckner and S. Naumann Macromol. Chem. Phys.2020, 221, 1900437.