Tangpakonsab Parinya, Genest Alexander, Yang Jingxia, Meral Ali, Zou Bingjie, Yigit Nevzat, Schwarz Sabine, Rupprechter Günther
Institute of Materials Chemistry, TU Wien, Getreidemarkt 9/BC, 1060 Vienna, Austria.
College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Longteng Rd 333, Songjiang, Shanghai People's Republic of China.
Top Catal. 2023;66(15-16):1129-1142. doi: 10.1007/s11244-023-01848-x. Epub 2023 Jul 31.
As supported CuO is well-known for low temperature activity, CuO/CeO nanosphere catalysts were synthesized and tested for CO oxidation and preferential oxidation of CO (PROX) in excess H. For the first reaction, ignition was observed at 95 °C, whereas selective PROX occurred in a temperature window from 50 to 100 °C. The catalytic performance was independent of the initial oxidation state of the catalyst (CuO vs. Cu), suggesting that the same active phase is formed under reaction conditions. Density functional modeling was applied to elucidate the intermediate steps of CO oxidation, as well as those of the comparably less feasible H transformation. In the simulations, various Cu and vacancy sites were probed as reactive centers enabling specific pathways.
The online version contains supplementary material available at 10.1007/s11244-023-01848-x.
负载型氧化铜因低温活性而闻名，合成了氧化铜/二氧化铈纳米球催化剂，并测试了其在过量氢气中对一氧化碳氧化和一氧化碳优先氧化（PROX）的性能。对于第一个反应，在95℃观察到着火现象，而选择性PROX在50至100℃的温度范围内发生。催化性能与催化剂的初始氧化态（氧化铜与铜）无关，这表明在反应条件下形成了相同的活性相。应用密度泛函模型来阐明一氧化碳氧化的中间步骤，以及相对不太可行的氢气转化步骤。在模拟中，探测了各种铜和空位作为能够实现特定途径的反应中心。
在线版本包含可在10.1007/s11244-023-01848-x获取的补充材料。
