Suppressing COx in oxidative dehydrogenation of propane with dual-atom catalysts

Yongbin Yao, Jingnan Wang, Fei Lu, Wenlin Li, Bingbao Mei, Lifeng Zhang, Wensheng Yan, Fangli Yuan, Guiyuan Jiang, Sanjaya D. Senanayake () and Xi Wang ()
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Yongbin Yao: Beijing Jiaotong University
Jingnan Wang: Fuzhou University
Fei Lu: Yangzhou University
Wenlin Li: Taiyuan University of Technology
Bingbao Mei: Chinese Academy of Sciences
Lifeng Zhang: Fuzhou University
Wensheng Yan: University of Science and Technology of China
Fangli Yuan: Chinese Academy of Sciences
Guiyuan Jiang: China University of Petroleum
Sanjaya D. Senanayake: Brookhaven National Laboratory
Xi Wang: Beijing Jiaotong University

Nature Communications, 2025, vol. 16, issue 1, 1-11

Abstract: Abstract Oxidative dehydrogenation of propane (ODHP) is a promising route for propylene production, but achieving high selectivity towards propylene while minimizing COx byproducts remains a significant challenge for conventional metal oxide catalysts. Here we propose a solution to this challenge by employing atomically dispersed dual-atom catalysts (M1M'1-TiO2 DACs). Ni1Fe1-TiO2 DACs exhibit an ultralow COx selectivity of 5.2% at a high propane conversion of 46.1% and 520 °C, with stable performance for over 1000 hours. Mechanistic investigations reveal that these catalysts operate via a cooperative Langmuir-Hinshelwood mechanism, distinct from the Mars-van Krevelen mechanism typical of metal oxides. This cooperative pathway facilitates efficient conversion of propane and oxygen into propylene at the dual-atom interface. The superior selectivity arises from facile olefin desorption from the dual-atom sites and suppressed formation of electrophilic oxygen species, which are preferentially adsorbed on Fe1 sites rather than oxygen vacancies. This work highlights the potential of dual-atom catalysts for highly selective ODHP and provides insights into their unique catalytic mechanism.

Date: 2025
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DOI: 10.1038/s41467-025-59376-z

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