MOF-Derived Cu–Ni–ZrOx Interfaces for Efficient Hydrogenation of CO2-Derived Intermediates

MOF-derived catalysts offer a controllable route to constructing highly dispersed metal–oxide interfaces for CO2 conversion. Herein, HKUST-derived Cu–Ni–ZrOx catalysts were synthesized by introducing Ni and Zr precursors during precursor reconstruction, followed by controlled calcination and reduction. The optimized Cu–Ni–ZrOx catalyst achieved a CO2 conversion of 16.8%, methanol selectivity of 81.5%, and methanol space–time yield of 538.6 gMeOH kgcat⁻¹ h⁻¹ at 250 °C and 3.0 MPa. Compared with Cu–ZrOx, Ni incorporation increased the H2 dissociation capacity by 44.7%, while ZrOx stabilized formate and methoxy intermediates at the oxide–metal boundary. In situ DRIFTS showed faster conversion of formate to methoxy species, with the methoxy/formate intensity ratio increasing from 0.46 to 0.83 after Ni addition. The results indicate that MOF-derived Cu–Ni–ZrOx catalysts improve methanol formation by coupling enhanced hydrogen activation with stabilized CO2-derived intermediates.

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