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.

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