Speaker
Description
Functional interfaces are of crucial importance for the interaction of catalytically active phases with a support. In two projects, we are contributing to adjust catalytic properties via the design of metal-support interfaces. By systematically introducing promotors through incipient wetness impregnation (IWI) as well as strong electrostatic adsorption (SEA), we aim to modify the Pt-Al$_{2}$O$_{3}$ interface and thus control the reactivity of Pt in propane dehydrogenation (PDH) in collaboration with the BasCat - UniCat BASF JointLab at the Technical University Berlin. In the CatLab project, we are concerned with the analysis of Pd-M/MO$_{x}$/Si thin films synthesized at the Helmholtz-Zentrum Berlin applying a broad field of synthesis parameters. Acetylene hydrogenation is used as probe reaction.
The common approach in the projects, where the metal is present as nanoparticles on one side and as a thin film on the other, is to gain more knowledge through a data-centric approach. Both projects are carried out in close collaboration with the Theory Department.
The local data infrastructure in the institute was recently adapted to these new requirements by further developing the data archive that has been used in the AC department for over 20 years. The archive now corresponds to an electronic laboratory notebook with extended functions that are optimally designed to meet the requirements of catalysis research.$^{1}$ In addition, an automation concept based on EPICS is being implemented.$^{2}$ Tools are being developed to automatically upload the generated data into the AC data archive and thus make it available for analysis using artificial intelligence. Approaches based on a DoE (Design of Experiment) were established in the two projects to efficiently explore wide parameter spaces in catalyst synthesis, formation, functional and structural (interface and surface) analysis. All experiments are performed according to handbooks, which are written in machine-readable form.$^{3}$
References
1. https://github.com/fhimpg/archive
2. https://gitlab.fhi.mpg.de/fhi-ac/ertl; https://epics.mpg.de/
3. A. Trunschke, Catalysis Science & Technology, 12, 3650 (2022).
| Abstract Number (department-wise) | AC 6.1 |
|---|---|
| Department | AC (Schlögl) |
