Ni redispersion from SiO<sub>2</sub> to molybdenum carbide creates dual interfaces to boost tandem CO<sub>2</sub> hydrogenation.

Wang, Haiyan; Qin, Xuetao; Gao, Zirui; Diao, Yanan; Liu, Shenghua; Peng, Mi; Liu, Shida; Hou, Shuandi et al. · Nat Commun · 2025

basic_science · Level V

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Abstract

Interface engineering is crucial in the design of supported metal catalysts, as it significantly influences the catalytic process, particularly in terms of selectivity. Herein, we discover the redispersion of Ni nanoparticles from SiO<sub>2</sub> to molybdenum carbide (Mo<sub>2</sub>C) being induced by the strong interaction between metal and Mo<sub>2</sub>C. Parameters affect such migration are thoroughly investigated from carbon source, proximity between Ni and Mo<sub>2</sub>C to activation atmosphere and temperature. The established dual interface on Mo<sub>2</sub>C-Ni/SiO<sub>2</sub> catalyst exhibits excellent catalytic performance for CO<sub>2</sub> hydrogenation, readily shifting the selectivity from 91% CO on Ni/Mo<sub>2</sub>C to near 100% CH<sub>4</sub> on Mo<sub>2</sub>C-Ni/SiO<sub>2</sub>. Density functional theory calculations further verify the interfacial synergy between Ni/Mo<sub>2</sub>C and Ni/SiO<sub>2</sub> sites with low barrier for CO<sub>2</sub> activation and a subsequent successive hydrogenation of CO. These findings highlight the important role of strong metal-support interaction (SMSI) induced metal redispersion for the rational fabrication of dual interfaces, leading to a highly active catalyst for target products.