Li Jiahe, He Xing-Yue, Wang Xiaowen, Lv Yiwei, Ma Jian-Gong, Li Bo, Cheng Peng
Department of Chemistry, Frontiers Science Center for New Organic Matter and Key Laboratory of Advanced Energy Materials Chemistry (MOE), College of Chemistry, Nankai University, Tianjin 300071, China.
Tianjin University of Traditional Chinese Medicine, 10 Poyanghu Road, West Area, Tuanbo New Town, Jinghai District, Tianjin 301617, China.
Inorg Chem. 2025 Apr 28;64(16):8448-8454. doi: 10.1021/acs.inorgchem.5c01181. Epub 2025 Apr 18.
CO 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 CO 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@ZrO catalyst with a Cu-ZrO interface. The Cu NWs@ZrO catalyst shows high activity with promising selectivity and excellent stability for the synthesis of methanol from CO hydrogenation. Density functional theory calculations and diffuse reflectance Fourier transform infrared spectroscopy confirmed that the CO hydrogenation on Cu NWs@ZrO followed the HCOO* pathway, and the Cu-ZrO interface made a significant contribution to the key intermediate step of CO to HCOO* and accelerated the CO hydrogenation.
CO加氢是碳循环和缓解温室效应的关键技术之一。铜基催化剂已广泛应用于CO加氢制甲醇反应。然而，铜基催化剂的低催化效率和不稳定性限制了它们的工业应用。在此，使用一种锆基金属有机框架合成了具有Cu-ZrO界面的Cu NWs@ZrO催化剂。Cu NWs@ZrO催化剂在CO加氢合成甲醇反应中表现出高活性、良好的选择性和优异的稳定性。密度泛函理论计算和漫反射傅里叶变换红外光谱证实，Cu NWs@ZrO上的CO加氢遵循HCOO途径，且Cu-ZrO界面在CO转化为HCOO的关键中间步骤中发挥了重要作用，并加速了CO加氢反应。
