Skip to main content
Kent Academic Repository

Adjustment of the single atom/nanoparticle ratio in Pd/CNT catalysts for phenylacetylene selective hydrogenation

Audevard, Jérémy, Navarro-Ruiz, Javier, Bernardin, Vincent, Tison, Yann, Corrias, Anna, Del Rosal, Iker, Favre-Réguillon, Alain, Philippe, Régis, Gerber, Iann C., Serp, Philippe and others. (2023) Adjustment of the single atom/nanoparticle ratio in Pd/CNT catalysts for phenylacetylene selective hydrogenation. ChemCatChem, 15 (11). ISSN 1867-3880. E-ISSN 1867-3899. (doi:10.1002/cctc.202300036) (KAR id:100961)


Pd/C catalysts are widely used for hydrogenation reactions in the chemical industry. One of the reasons for their high activity is the ability of Pd nanoparticles (PdNP) to dissociate H2 and promote H-spillover. Nevertheless, for selective hydrogenation unpromoted Pd/C catalysts show disappointing results. The use of supported Pd single atom (PdSA) catalysts permits to achieve high selectivity. However, PdSA show low activity because they have difficulty in activating H2. A cooperative catalysis between PdNP and PdSA operates for the hydrogenation of alkenes thanks to the H-spillover, which makes it possible to obtain active isolated PdSA-H species. Here, we present experimental and computational results obtained for phenylacetylene hydrogenation on Pd/CNT catalysts showing different PdSA/PdNP ratios. Tuning this ratio allows doubling the activity while reaching high selectivity to styrene at high conversion. DFT calculations suggest that the first coordination sphere of PdSA has a pronounced effect on their reactivity.

Item Type: Article
DOI/Identification number: 10.1002/cctc.202300036
Uncontrolled keywords: Inorganic Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Catalysis
Subjects: Q Science
Q Science > QD Chemistry
Divisions: Divisions > Division of Natural Sciences > Chemistry and Forensics
Funders: Diamond Light Source (
Agence Nationale de la Recherche (
Depositing User: Anna Corrias
Date Deposited: 18 Apr 2023 12:28 UTC
Last Modified: 17 Apr 2024 23:00 UTC
Resource URI: (The current URI for this page, for reference purposes)

University of Kent Author Information

  • Depositors only (login required):

Total unique views for this document in KAR since July 2020. For more details click on the image.