Metal−Organic Framework-Derived Cu NWs@ZrO2 as a Highly Selective Catalyst for Methanol Synthesis from CO2 Hydrogenation

Abstract

CO₂ hydrogenation is one of the key technologies for carbon recycling and greenhouse effect mitigation. Cu-based catalysts have been widely used in the hydrogenation of CO₂ to methanol. However, the low catalytic efficiency and instability of Cu-based catalysts limit their industrial application. Herein, a Zr-based metal−organic framework was used to synthesize a Cu NWs@ZrO₂ catalyst with a Cu-ZrO₂ interface. The Cu NWs@ZrO₂ catalyst shows high activity with promising selectivity and excellent stability for the synthesis of methanol from CO₂ hydrogenation. Density functional theory calculations and in situ diffuse reflectance Fourier transform infrared spectroscopy confirmed that the CO₂ hydrogenation on Cu NWs@ZrO₂ followed the HCOO* pathway, and the Cu-ZrO₂ interface made a significant contribution to the key intermediate step of CO₂ to HCOO* and accelerated the CO₂ hydrogenation.