Metal-based catalysts are prevalent in the CO₂ hydrogenation to methanol owing to their remarkable catalytic activity. Herein, Ru/In₂O₃ catalysts with different morphologies obtained by doping Ru into In₂O₃ with irregular, rod-like, and flower-like morphologies are used for catalytic CO₂ hydrogenation to methanol. Results indicate that the flower-like Ru/In₂O₃ (Ru/In₂O₃-F) exhibits higher catalytic performance than Ru/In₂O₃ with other morphologies, achieving a 12.9% CO₂ conversion, 74.02% methanol selectivity, and 671.36 mg_MeOH·h⁻¹·g_cat⁻¹ methanol spatiotemporal yield. Furthermore, Ru/In₂O₃-F maintains its catalytic stability over 200 h at 5 MPa and 290 °C. The promotional effect mainly stems from the fact that electronic structure of Ru can be effectively adjusted by modulating the morphology of In₂O₃. The strong interaction between atomically dispersed Ru and In₂O₃-F enhances the structural stability of Ru, inhibiting the agglomeration of the catalyst during the reaction process. Furthermore, density-functional theory calculations reveal that highly dispersed Ru atoms not only perform efficient and rapid electronic gain and loss processes, facilitating the catalytic activation of H₂ into H intermediates. It also enables the generated reactive H to rapidly overflow to the surrounding In sites to participate in CO₂ reduction. These findings provide a theoretical basis for the development of high-performance catalysts for CO₂ hydrogenation.

中文翻译：

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原子分散在花状 In2O3 上的 Ru 以促进 CO2 加氢生成甲醇


金属基催化剂因其卓越的催化活性而在 CO₂ 加氢制甲醇中普遍存在。本文采用不规则、棒状和花状形态的 Ru/In 2 O 3 掺杂到不同形态的 In₂O₃ 中，获得具有不同形貌的 Ru/In₂O₃ 催化剂，用于催化 CO₂ 加氢制甲醇。结果表明，花状 Ru/In₂O₃ （Ru/In₂O_3-F） 表现出比其他形态的 Ru/In₂O₃ 更高的催化性能，实现了 12.9% 的 CO₂ 转化率、74.02% 的甲醇选择性和 671.36 mg_MeOH·^h-1·g ^cat-1 甲醇的时空产率。此外，Ru/In₂O_3-F 在 5 MPa 和 290 °C 下保持其催化稳定性超过 200 小时。 这种促进作用主要源于Ru的电子结构可以通过调节In₂O₃的形态来有效调节。原子分散的 Ru 和 In₂O_3-F 之间的强相互作用增强了 Ru 的结构稳定性，抑制了反应过程中催化剂的团聚。此外，密度泛函理论计算表明，高度分散的 Ru 原子不仅执行高效和快速的电子增益和损耗过程，还促进了 H₂ 催化活化为 H 中间体。它还使生成的反应性 H 能够迅速溢出到周围的 In 位点，参与 CO₂ 还原。这些发现为开发高性能 CO₂ 加氢催化剂提供了理论依据。