23. January 2024, 16:00 until 17:00

Panukorn Sombut, Institute of Applied Physics, TU Wien

Seminar

Computational Studies of the Fe3O4(001) Surface as a Model for Single-Atom Catalysts

Single-atom catalysts (SACs) represent a new frontier in heterogeneous catalysis due to their particular local environment, resulting in a unique electronic structure in comparison with traditional supported nanoparticle catalysts. While the hydroformylation reaction between alkenes and syngas (CO and H2) conventionally involves Rh-based complexes, there is growing evidence suggesting that SACs can selectively catalyze this reaction. In this study, we employed a combination of DFT and surface science techniques, including STM, TPD, and XPS to investigate the interaction of C2H4, CO, and H2 on Rh1-decorated Fe3O4(001). We explore the intricate details of how individual molecules interact with Rh adatom. We show that the local binding environment of the Rh1 adatom on the support also influences how molecules absorb. By unraveling these molecular interactions, we aim to contribute valuable insights into the understanding of SACs and their potential catalytic performance in hydroformylation.

Calendar entry

Event location

SEM.R. DB gelb 05 B
1040 Wien
Wiedner Hauptstraße 8-10/E134

 

Organiser

IAP
Manuela Marik
marik@iap.tuwien.ac.at

 

Public

Yes

 

Entrance fee

No

 

Registration required

No