Oxophilicity-Driven Room-Temperature C─O Cleavage Over Single-Atom W-Doped MoS₂.

Authors

Tangkang Liu, Jingpeng Zhou, Yufeng Qian, Yi Liu, Yushan Wu, Guoliang Liu, Anmin Zheng

Published in

Angewandte Chemie (International ed. in English). Pages e1085066. Sep 29, 2026. Epub Sep 29, 2026.

Abstract

The efficient cleavage of C─O bonds under mild conditions is essential for biomass upgrading yet remains challenging due to their kinetic inertness. Conventional MoS₂ catalysts require elevated temperatures or high sulfur-vacancy densities to achieve meaningful activity. Here, we demonstrate that single-atom tungsten substitution in MoS₂ (W-MoS₂) dramatically enhances the intrinsic activity of edge sulfur vacancy sites for room-temperature hydrodeoxygenation of 5-hydroxymethylfurfural (HMF). The oxophilic W centers elongate C─O bonds through strong oxygen coordination and lower the C─O bond cleavage barrier, leading to a three-fold increase in turnover frequency. The optimized W-MoS₂ catalyst delivers complete HMF conversion with 100% selectivity toward a C6 fuel blend (a mixture of 2,5-dimethylfuran and 1,2-bis(5-methyl-2-furanyl)ethylene) under near-ambient conditions. Notably, full HMF conversion is achieved even at room temperature, with a reaction rate constant three times that of pristine MoS₂. This work establishes oxophilicity engineering as a powerful strategy to unlock the intrinsic potential of two-dimensional sulfides for room-temperature biomass refining.

PMID:
42806937
Bibliographic data and abstract were imported from PubMed on 29 Sep 2026.

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