Copper-zirconia interfaces in UiO-66 enable selective catalytic hydrogenation of CO2 to methanol

Yifeng Zhu, Jian Zheng, Jingyun Ye, Yanran Cui, Katherine Koh, Libor Kovarik, Donald M. Camaioni, John L. Fulton, Donald G. Truhlar, Matthew Neurock, Christopher J. Cramer, Oliver Y. Gutiérrez () and Johannes A. Lercher ()
Additional contact information
Yifeng Zhu: Pacific Northwest National Laboratory
Jian Zheng: Pacific Northwest National Laboratory
Jingyun Ye: University of Minnesota
Yanran Cui: Pacific Northwest National Laboratory
Katherine Koh: Pacific Northwest National Laboratory
Libor Kovarik: Pacific Northwest National Laboratory
Donald M. Camaioni: Pacific Northwest National Laboratory
John L. Fulton: Pacific Northwest National Laboratory
Donald G. Truhlar: University of Minnesota
Matthew Neurock: University of Minnesota
Christopher J. Cramer: University of Minnesota
Oliver Y. Gutiérrez: Pacific Northwest National Laboratory
Johannes A. Lercher: Pacific Northwest National Laboratory

Nature Communications, 2020, vol. 11, issue 1, 1-11

Abstract: Abstract Molecular interactions with both oxides and metals are essential for heterogenous catalysis, leading to remarkable synergistic impacts on activity and selectivity. Here, we show that the direct link between the two phases (and not merely being together) is required to selectively hydrogenate CO2 to methanol on catalysts containing Cu and ZrO2. Materials consisting of isolated Cu particles or atomically dispersed Cu–O–Zr sites only catalyze the reverse water-gas shift reaction. In contrast, a metal organic framework structure (UiO-66) with Cu nanoparticles occupying missing-linker defects maximizes the fraction of metallic Cu interfaced to ZrO2 nodes leading to a material with high adsorption capacity for CO2 and high activity and selectivity for low-temperature methanol synthesis.

Date: 2020
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DOI: 10.1038/s41467-020-19438-w

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