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
