Effects of alloying palladium with gold in furfural hydrogenation:An in situ ATR-IR spectroscopy and density functional theory study

Campisi, Sebastioano, Bellomi, Silvio, Chinchilla, Lidia E., Stucchi, Marta, Prati, Laura, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Ferri, Davide and Villa, Alberto 2024. Effects of alloying palladium with gold in furfural hydrogenation:An in situ ATR-IR spectroscopy and density functional theory study. Catalysis Communications , 106894. 10.1016/j.catcom.2024.106894

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Abstract

Furfural is a versatile platform molecule and a model compound to explore the key factors influencing activity and selectivity in heterogeneous catalysis. In this study, Pd and AuPd nanoparticles (average size 3.5–4 nm) were deposited on TiO2 by sol immobilization method and were evaluated for liquid-phase furfural hydrogenation. Alloying Au and Pd caused a decrease in activity, an enhancement in stability, and a change in selectivity, favouring the complete hydrogenation of furfural over the decarbonylation reaction. These variations in catalytic performance were elucidated by combining in situ attenuated total reflectance infrared spectroscopy and density functional theory studies.

Item Type:	Article
Date Type:	Published Online
Status:	In Press
Schools:	Chemistry Cardiff Catalysis Institute (CCI)
Publisher:	Elsevier
ISSN:	1566-7367
Funders:	Supercomputing Wales is kindly acknowledged for access to the Hawk HPC facility, which is part-funded by the European Regional Development Fund via the Welsh Government
Date of First Compliant Deposit:	10 April 2024
Date of Acceptance:	2 March 2024
Last Modified:	15 Apr 2024 12:45
URI:	https://orca.cardiff.ac.uk/id/eprint/167868

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