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April 26, 2026Journal of the American Chemical Society4 citations

Regulation of the Adsorption Configuration of Interfacial Water to Enhance the Electrocatalytic Semihydrogenation of Alkynols

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MLMengyu LiHunan UniversityWCWei ChenCDChung-Li Dong

Key Points

  • This research aims to enhance the electrocatalytic semi-hydrogenation of alkynols by modifying the interfacial microenvironment of catalysts.
  • Developed bimetallic CuBi nanoparticles to optimize ECSH performance.
  • Utilized in situ ATR-FTIR spectroscopy and DFT calculations for analysis.
  • Assessed the impact of interfacial water adsorption configuration on reaction efficiency.
  • Achieved 100% conversion and 97.7% selectivity for MBY semi-hydrogenation at -0.5 V<sub>RHE</sub>.
  • Altered interfacial water configuration effectively suppressed hydrogen evolution reactions.
  • Enhanced adsorption of reactant MBY and facilitated desorption of product MBE.

Abstract

Electrocatalytic semi-hydrogenation (ECSH) of alkynols offers a highly attractive and sustainable route for producing alkenols. However, achieving efficient alkenol synthesis requires effective suppression of competing side reactions, such as hydrogen evolution reaction (HER) and overhydrogenation. In this work, bimetallic CuBi nanoparticles (NPs) are developed to promote ECSH of alkynols through precise modulation of the catalyst's interfacial microenvironment. In situ attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy combined with density functional theory (DFT) calculations reveals that incorporating Bi into Cu NPs alters interfacial water adsorption configuration, suppresses HER, enhances reactant 2-methyl-3-butyn-2-ol (MBY) adsorption, and facilitates desorption of the semi-hydrogenation product 2-methyl-3-buten-2-ol (MBE), thereby significantly improving alkynol semi-hydrogenation performance. As a result, CuBi NPs exhibit exceptional electrocatalytic performance in MBY semi-hydrogenation, achieving 100% conversion and 97.7% selectivity at -0.5 VRHE. This work presents a promising strategy for enhancing ECSH of alkynols via rational regulation of the microenvironment at the electrode-electrolyte interface.

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Cite This Study

Li et al. (2026) studied this question.

synapsesocial.com/papers/69edaafc4a46254e215b345fhttps://doi.org/10.1021/jacs.5c20263
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