Mesoporous metallo-silicates with defined electronic and geometric properties: A combined experiment-theory approach (A04)

• Subject Area: Solid State and Surface Chemistry, Material Synthesis ; Physical Chemistry of Solids and Surfaces, Material Characterisation
• Term: since 2018
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 358283783

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.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1333: Molecular Heterogeneous Catalysis in Confined Geometries
• Applicant Institution: Universität Stuttgart
• Project Heads: Dr. Johanna R. Bruckner, since 7/2022; Professor Dr. Frank Gießelmann, until 6/2022; Professor Dr. Blazej Grabowski, since 7/2022; Professorin Dr. Yvonne Traa, until 6/2022