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

IF 5.9 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Communications Chemistry Pub Date : 2025-02-23 DOI:10.1038/s42004-025-01413-5

Cesar Catizane, Ying Jiang, Joy Sumner

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Abstract

Efficient 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.

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来源期刊

Communications Chemistry Chemistry-General Chemistry

CiteScore

7.70

自引率

1.70%

发文量

146

审稿时长

13 weeks

期刊介绍： Communications Chemistry is an open access journal from Nature Research publishing high-quality research, reviews and commentary in all areas of the chemical sciences. Research papers published by the journal represent significant advances bringing new chemical insight to a specialized area of research. We also aim to provide a community forum for issues of importance to all chemists, regardless of sub-discipline.