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Catalytic direct deoxygenation of biomass pyrolysis vapors over noble-metal-free bimetallic/bifunctional metal-doped Mo2C catalyst

Author

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  • Zhang, Shuping
  • Wang, Jiaxing
  • Liu, Yitong
  • Xiong, Yuanquan

Abstract

This work focused on the catalytic direct deoxygenation of biomass pyrolysis vapors without H2 atmosphere over noble-metal-free bimetallic/bifunctional metal-doped Mo2C catalyst. The catalyst preparation process was optimized and the selectivity of deoxygenated bio-oil were comprehensively studied by state-of-the-art characterizations. The primary deoxygenation pathways of biomass pyrolysis vapors over bimetalli/bifunctional Fe-doped Mo2C catalyst were unfolded based on density functional theory (DFT) calculations. The results showed that the Fe-doped Mo2C catalyst possessed the excellent promoting effect on deoxygenation in upgraded bio-oil. Fe-Mo2C active sites presented lower energy barrier of adsorbed (OH)ads to desorbed (OH)free compared to mono-metal, demonstrating the enhanced selectivity to cleave more sterically hindered C-O bonds. Furthermore, the catalyst deactivation and the regeneration performance of catalysts were evaluated for potential industrialization. Ultimately, a conceptional scheme focused on biomass utilization is devised to achieve the closed-loop of material and energy flow to obtain upgraded bio-oil.

Suggested Citation

  • Zhang, Shuping & Wang, Jiaxing & Liu, Yitong & Xiong, Yuanquan, 2026. "Catalytic direct deoxygenation of biomass pyrolysis vapors over noble-metal-free bimetallic/bifunctional metal-doped Mo2C catalyst," Renewable Energy, Elsevier, vol. 257(C).
    • Handle: RePEc:eee:renene:v:257:y:2026:i:c:s0960148125024814
    DOI: 10.1016/j.renene.2025.124817
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