Mechanisms of electrochemical hydrogenation of aromatic compound mixtures over a bimetallic PtRu catalyst

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dc.contributor.authorCatizane, Cesar
dc.contributor.authorJiang, Ying
dc.contributor.authorSumner, Joy
dc.date.accessioned2025-03-14T15:54:07Z
dc.date.available2025-03-14T15:54:07Z
dc.date.freetoread2025-03-14
dc.date.issued2025-02-23
dc.date.pubOnline2025-02-23
dc.description.abstractEfficient electrochemical hydrogenation (ECH) of organic compounds is essential for sustainability, promoting chemical feedstock circularity and synthetic fuel production. This study investigates the ECH of benzoic acid, phenol, guaiacol, and their mixtures, key components in upgradeable oils, using a carbon-supported PtRu catalyst under varying initial concentrations, temperatures, and current densities. Phenol achieved the highest conversion (83.17%) with a 60% Faradaic efficiency (FE). In mixtures, benzoic acid + phenol yielded the best performance (64.19% conversion, 74% FE), indicating a synergistic effect. Notably, BA consistently exhibited 100% selectivity for cyclohexane carboxylic acid (CCA) across all conditions. Density functional theory (DFT) calculations revealed that parallel adsorption of BA on the cathode (−1.12 eV) is more stable than perpendicular positioning (-0.58 eV), explaining the high selectivity for CCA. These findings provide a foundation for future developments in ECH of real pyrolysis oil.
dc.description.journalNameCommunications Chemistry
dc.description.sponsorshipEngineering and Physical Sciences Research Council
dc.description.sponsorshipThe authors would like to thank EPSRC (EP/T518104/1) and Cranfield University for their support.
dc.format.mediumElectronic
dc.identifier.citationCatizane C, Jiang Y, Sumner J. (2025) Mechanisms of electrochemical hydrogenation of aromatic compound mixtures over a bimetallic PtRu catalyst. Communications Chemistry, Volume 8, February 2025, Article number 56
dc.identifier.eissn2399-3669
dc.identifier.elementsID565160
dc.identifier.issn2399-3669
dc.identifier.paperNo56
dc.identifier.urihttps://doi.org/10.1038/s42004-025-01413-5
dc.identifier.urihttps://dspace.lib.cranfield.ac.uk/handle/1826/23614
dc.identifier.volumeNo8
dc.languageEnglish
dc.language.isoen
dc.publisherSpringer
dc.publisher.urihttps://www.nature.com/articles/s42004-025-01413-5
dc.relation.isreferencedbyhttps://doi.org/10.6084/m9.figshare.26540506.v1
dc.rightsAttribution 4.0 Internationalen
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subject34 Chemical Sciences
dc.subject3406 Physical Chemistry
dc.subject34 Chemical sciences
dc.titleMechanisms of electrochemical hydrogenation of aromatic compound mixtures over a bimetallic PtRu catalyst
dc.typeArticle
dc.type.subtyperesearch-article
dc.type.subtypeJournal Article
dcterms.dateAccepted2025-01-14

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