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Zihang Wang, Yujing Wu, Jinliang Yan, Zhiyu Li, Hui Zhou, Peng Fu. Ni–Mo Interfacial Electronic Transfer and Acid-Site Coupling Drive Carbon-Backbone-Retentive Hydrodeoxygenation of Fatty Acid Esters under Mild Conditions. Green Energy&Environment. doi: 10.1016/j.gee.2026.03.023
Citation: Zihang Wang, Yujing Wu, Jinliang Yan, Zhiyu Li, Hui Zhou, Peng Fu. Ni–Mo Interfacial Electronic Transfer and Acid-Site Coupling Drive Carbon-Backbone-Retentive Hydrodeoxygenation of Fatty Acid Esters under Mild Conditions. Green Energy&Environment. doi: 10.1016/j.gee.2026.03.023
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Ni–Mo Interfacial Electronic Transfer and Acid-Site Coupling Drive Carbon-Backbone-Retentive Hydrodeoxygenation of Fatty Acid Esters under Mild Conditions

doi: 10.1016/j.gee.2026.03.023

  • a. College of Agricultural Engineering and Food Science, Shandong University of Technology, Zibo, 255000, China;

  • b. School of Transportation and Vehicle Engineering, Shandong University of Technology, Zibo 255000, China;

  • c. Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Energy and Power Engineering, Tsinghua University, Beijing, 100084, China

Funds:

The authors gratefully thank the support for this research from National Natural Science Foundation of China [No. 52206264, No. 52376199], Special Project Fund of “Taishan Scholar” of Shandong Province [No. tsqn202103066], Youth Innovation Support Program of Shandong Colleges and Universities [2023KJ333].

  • Received date 04 January 2026, Accepted date 27 March 2026, RevRecd date 23 March 2026, Available online 03 April 2026
    Abstract
  • Biodiesel, a renewable and carbon-neutral fuel, offers a sustainable alternative to petroleum diesel. However, its widespread application is hindered by the need for energy-intensive deoxygenation processes that often degrade the carbon backbone of fatty acid esters. This study presents a non-noble NiMo/HBeta bifunctional catalyst for the complete conversion of methyl stearate under mild conditions (190 °C), achieving 92.53% selectivity toward C18 alkanes and a high HDO/DCO (hydrodeoxygenation/(decarboxylation + decarbonylation)) ratio of 12.38, outperforming previously reported catalytic systems. Mechanistic insight reveals that atomically dispersed Niδ+–MoOx sites enable directed electron transfer from Ni to Mo. This creates a synergistic interface where Ni activates H2 while Mo polarizes the C=O bond, lowering the barrier of the HDO pathway to 1.76 eV and kinetically favoring carbon-retentive deoxygenation. Concurrently, Mo reshapes the acid properties by suppressing strong Brønsted sites, establishing a Lewis-acid-dominated microenvironment that selectively cleaves C–O bonds while inhibiting C–C scission. This work elucidates how interfacial electronic synergy and tailored acidity cooperatively steer reaction pathways, offering a design principle for efficient biomass upgrading under mild conditions.

     

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