Nowicka, Ewa ORCID: https://orcid.org/0000-0001-7449-2720, Althahban, Sultan, Leah, Tom D., Shaw, Greg, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2019. Benzyl alcohol oxidation with Pd-Zn/TiO2: computational and experimental studies. Science and Technology of Advanced Materials 20 (1) , pp. 367-378. 10.1080/14686996.2019.1598237 |
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Abstract
Pd–Zn/TiO2 catalysts containing 1 wt% total metal loading, but with different Pd to Zn ratios, were prepared using a modified impregnation method and tested in the solvent-free aerobic oxidation of benzyl alcohol. The catalyst with the higher Pd content exhibited an enhanced activity for benzyl alcohol oxidation. However, the selectivity to benzaldehyde was significantly improved with increasing presence of Zn. The effect of reduction temperature on catalyst activity was investigated for the catalyst having a Pd to Zn metal molar ratio of 9:1. It was found that lower reduction temperature leads to the formation of PdZn nanoparticles with a wide particle size distribution. In contrast, smaller PdZn particles were formed upon catalyst reduction at higher temperatures. Computational studies were performed to compare the adsorption energies of benzyl alcohol and the reaction products (benzaldehyde and toluene) on PdZn surfaces to understand the oxidation mechanism and further explain the correlation between the catalyst composition and its activity.
Item Type: | Article |
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Date Type: | Publication |
Status: | Published |
Schools: | Chemistry Advanced Research Computing @ Cardiff (ARCCA) Cardiff Catalysis Institute (CCI) |
Publisher: | National Institute for Materials Science (NIMS) / Elsevier / Institute of Physics, National Institute for Materials Science |
ISSN: | 1468-6996 |
Date of First Compliant Deposit: | 1 May 2019 |
Date of Acceptance: | 19 March 2019 |
Last Modified: | 04 May 2023 02:15 |
URI: | https://orca.cardiff.ac.uk/id/eprint/122095 |
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