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High-purity hydrogen production from dehydrogenation of methylcyclohexane catalyzed by zeolite-encapsulated subnanometer platinum-iron clusters

Zhe He, Kailang Li, Tianxiang Chen, Yunchao Feng, Eduardo Villalobos-Portillo, Carlo Marini, Tsz Woon Benedict Lo (), Fuyuan Yang (), Liang Zhang () and Lichen Liu ()
Additional contact information
Zhe He: Tsinghua University
Kailang Li: Tsinghua University
Tianxiang Chen: The Hong Kong Polytechnic University, Hunghom
Yunchao Feng: Tsinghua University
Eduardo Villalobos-Portillo: Cerdanyola del Vallès
Carlo Marini: Cerdanyola del Vallès
Tsz Woon Benedict Lo: The Hong Kong Polytechnic University, Hunghom
Fuyuan Yang: Tsinghua University
Liang Zhang: Tsinghua University
Lichen Liu: Tsinghua University

Nature Communications, 2025, vol. 16, issue 1, 1-14

Abstract: Abstract Liquid organic hydrogen carriers (LOHCs) are considered promising carriers for large-scale H2 storage and transportation, among which the toluene-methylcyclohexane cycle has attracted great attention from industry and academia because of the low cost and its compatibility with the current infrastructure facility for the transportation of chemicals. The large-scale deployment of the H2 storage/transportation plants based on the toluene-methylcyclohexane cycle relies on the use of high-performance catalysts, especially for the H2 release process through the dehydrogenation of methylcyclohexane. In this work, we have developed a highly efficient catalyst for MCH dehydrogenation reaction by incorporating subnanometer PtFe clusters with precisely controlled composition and location within a rigid zeolite matrix. The resultant zeolite-encapsulated PtFe clusters exhibit the up-to-date highest reaction rate for dehydrogenation of methylcyclohexane to toluene, very high chemoselectivity to toluene (enabling the production of H2 with purity >99.9%), remarkably high stability (>2000 h) and regenerability over consecutive reaction-regeneration cycles.

Date: 2025
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DOI: 10.1038/s41467-024-55370-z

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