HYDROFORMYLATION REACTION OVER SUPPORTED RH CATALYSTS: A COMBINED DFT AND EXPERIMENTAL INVESTIGATION

MATERIAL AND SURFACE SCIENCE

Lab: LCC

Duration: NanoX master Internship (8 months part-time in-lab immersion)

Latest starting date: 15/10/2025

Localisation: Laboratoire de Chimie de Coordination (LCC), CNRS, 205 Rte de Narbonne, 31400 Toulouse

Laboratoire de Physique et Chimie
des Nano-objets (LPCNO), 135 Av. de Rangueil, 31077 Toulouse

Supervisors:
Bidyut BIKASH SARMA bidyut-bikash.sarma@lcc-toulouse.fr
Iann GERBER igerber@insa-toulouse.fr

Work package:
Abstract: The dynamic evolution of catalyst structure under reaction conditions is extremely important to understand as the conversion and selectivity of a particular reaction depend on the catalyst structure. However, it is very challenging to track the small changes in the catalyst with the state-of-the-art laboratory-based techniques. In this project, we will investigate Rh catalysts with different nuclearity (single atom, cluster and tiny nanoparticles) for the hydroformylation reaction of ethylene with a combined experimental and DFT investigations.

Figure 1. schematic representation of the overall aim of the project

References:
(1) Amsler, J.; Sarma, B. B.; Agostini, G.; Prieto, G.; Plessow, P. N.; Studt, F. J. Am. Chem. Soc. 2020, 142 (11), 5087- 5096. DOI (2) Sarma, B. B.; Neukum, D.; Doronkin, D. E.; Lakshmi Nilayam, A. R.; Baumgarten, L.; Krause, B.; Grunwaldt, J.- D. Chemical Science 2024, 15 (31), 12369-12379. DOI (3) Audevard, J.; Navarro-Ruiz, J.; Bernardin, V.; Philippe, R.; Corrias, A.; Tison, Y.; Favre-Réguillon, A.; Del Rosal, I.; Gerber, I. C.; Serp, P. J. Catal.; 2023, 425, 245-259. DOI

Areas of expertise:
Expected skill development: Synthesis, catalysis, analytical tools, spectroscopy, DFT calculation

Required skills for the internship:
Expected skill development: Synthesis, catalysis, analytical tools, spectroscopy, DFT calculation