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March 3, 2026ACS Catalysis2 citations

Oxidation State of Highly Dispersed Pt Subnanoclusters Correlates with d–p Orbital Hybridization for 100% Selectivity in Furfural Hydrogenation

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XLXin LiBeijing University of Chemical TechnologyJWJianguo WuBeijing University of Chemical TechnologyXWXuning WangBeijing University of Chemical Technology

Key Points

  • Furfuryl alcohol selectivity reached 100.0% with Pt cluster-300, exhibiting a significant advance in the hydrogenation process.
  • Pt cluster-300 displayed a 99.6% conversion of furfural, emphasizing the efficiency of this specific nanocluster.
  • Catalysts were analyzed through UV–visible spectroscopy, demonstrating a clear trend in adsorption capacity related to average valence.
  • The findings indicate that higher d–p orbital hybridization leads to improved catalytic activity during hydrogenation reactions.

Abstract

The C═O selective hydrogenation of furfural (FAL) is challenging due to the competitive adsorption of C═C and C═O. Herein, Pt nanoclusters with different average valences are synthesized by the deposition precipitation strategy. Notably, the FAL hydrogenation activity shows a volcano trend with increasing Pt average valence. Importantly, the Pt nanocluster catalyst with an average valence of +0.97 (Pt cluster-300) exhibits a 99.6% FAL conversion and 100.0% furfuryl alcohol (FOL) selectivity during furfural hydrogenation, close to the world record level. UV–visible spectroscopy studies indicate that Pt cluster-300 exhibits the highest adsorption capacity for FAL compared to other catalysts in this study. Further theoretical calculations reveal the high catalytic activity of Pt cluster-300 mainly derives from the higher hybridization between the d orbital of Pt and the 2p orbital of C═O bond in FAL molecules, indicating the moderate Pt valence exhibits better ability to activate the C═O bond in FAL and thus enhancing the hydrogenation kinetics. This work provides insight into the influence mechanism of metal valence during hydrogenation reactions.

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Cite This Study

Li et al. (2026) studied this question.

synapsesocial.com/papers/69a7657bbadf0bb9e87d941ehttps://doi.org/10.1021/acscatal.5c07387
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