Hard X-ray Spectroscopy and Advanced Data Analysis for Catalysis
09.10.2020
On October 7th, the groups of Prof. Dr. Grunwaldt (KIT, Karlsruhe, DE) and Prof. Dr. Soldatov (SFedU, Rostov-on-Don, RU) held a joint virtual workshop on Hard X-ray Spectroscopy and Advanced Data Analysis for Catalysis. The workshop brought together over 50 scholars from Germany – Karlsruhe Institute of Technology, and Russia – The Smart Materials Research Institute at the Southern Federal University. The talks were devoted to the infrastructure and experimental research highlights from KIT as well as the advances of SFedU in the areas of machine learning, big data analysis and prediction of X-ray absorption spectra for catalytically active materials. After the workshop, a group leader meeting took place to recapitulate on the synergism in the research portfolios and discuss plans for a future collaboration in applying advanced measurement and analysis techniques to understand industrially relevant catalytic materials and processes.
Short overview of the held talks:
- 14:00 Short introductions of the respective groups (Prof. Dr. J.-D. Grunwaldt, KIT and Prof. Dr. A. Soldatov, SFedU)
- 14:15 XAS modelling and analysis to identify structure and nuclearity of Cu species in zeolite catalysts (Ilia Pankin, SFedU)
I. Pankin presented theoretical and experimental evaluation of the structure and stability of various Cu species in several zeolite structures used for methane-to-methanol, methanol-to-olefins, and selective catalytic reduction of NOx.
- 14:45 Machine Learning for XANES Analysis of Palladium Nanocatalysts (Oleg Usoltsev, SFedU)
O. Usoltsev reported on the progress of his PhD work on the application of machine learning for modelling and analysis of XANES spectra of palladium nanoparticles and the corresponding hydrides and carbides formed in various catalytic processes.
- 15:15 Actual challenges and emerging techniques to study heterogeneous catalysts (Dmitry Doronkin, KIT)
The presentation of D. Doronkin outlined current trends in operando catalytic studies performed under industrially relevant conditions at various timescales using hard X-ray spectroscopy and complementary techniques.
- 15:45 Hard X-ray imaging and tomography studies of heterogeneous catalysts (Thomas Sheppard, KIT)
In his talk T. Sheppard summarised the recent developments in X-ray imaging and tomography of structured catalytic materials with highlights on high resolution imaging at <20 nm, and operando spectrotomography of automotive catalysts.
Karlsruhe and Rostov-on-Don, 09.10.2020