Abstract The synergistic effect of two metal species in bimetallic catalysts can promote the catalytic performances significantly, and the enhanced adsorption properties by the interaction between two metal species play an important role. In this study, we investigated the hydrodeoxygenation (HDO) performance of a bimetallic RuCo/SiO2-ZrO2 catalyst, paying close attention to its adsorption properties based on the experimental and modeling study. RuCo catalyst presented a strong interaction between two metal species and electrons transfer from Ru to Co, which led to a higher spin-up d-band center value of surface atoms and thereby a different adsorption property from the monometallic catalysts. The good adsorption of hydrogen and substrate in RuCo catalyst played a crucial role on triggering the occurrence of HDO reaction for a better performance, which was also confirmed by the DFT calculation. This catalyst performed well on the HDO of guaiacol, other phenolic compounds and raw lignin-oil.

中文翻译：

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双金属RuCo催化剂对酚类化合物和粗木质素油加氢脱氧的吸附性能增强

摘要 双金属催化剂中两种金属物种的协同作用可以显着提高催化性能，两种金属物种之间相互作用增强的吸附性能起着重要作用。在这项研究中，我们研究了双金属 RuCo/SiO2-ZrO2 催化剂的加氢脱氧 (HDO) 性能，并在实验和模型研究的基础上密切关注其吸附性能。RuCo 催化剂表现出两种金属物种之间的强相互作用和电子从 Ru 到 Co 的转移，导致表面原子的自旋向上 d 带中心值更高，从而与单金属催化剂具有不同的吸附性能。RuCo催化剂中氢和底物的良好吸附对触发HDO反应的发生起到了至关重要的作用，以获得更好的性能，DFT 计算也证实了这一点。该催化剂在愈创木酚、其他酚类化合物和粗木质素油的 HDO 上表现良好。