Propylene serves as a crucial feedstock for a wide range of industries engaged in the production of diverse petrochemical products. Propane dehydrogenation, an appealing technology aimed at supplanting conventional methodologies, confronts significant hurdles attributable to coke deposition and sintering in Pt‐based catalysts. Here, we report an Ir single atom encapsulated in silicalite‐1 zeolite modified with Sn single atoms as electronic promoters, displaying remarkable activity and stability, which is significantly greater than the previously reported Ir‐based catalysts and comparable to the majority of Pt‐based catalysts under similar industrial conditions (600°C, C3H8/H2 = 2/1). Spectroscopies results reveal that the introduction of Sn atoms promotes the transfer of electrons from Sn atoms to Ir atoms, forming electron‐rich Irδ+ species. DFT calculations show that the unique electronic structure lowers the energy barrier for two‐step dehydrogenation as well as favors the adsorption of propane and desorption of propylene, thus enhancing the activity and stability.

中文翻译：

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在silalite-1沸石中原子分散的Sn促进剂改性的Ir单原子催化剂上丙烷脱氢

丙烯是生产多种石化产品的众多行业的重要原料。丙烷脱氢是一项旨在取代传统方法的颇具吸引力的技术，但由于铂基催化剂中的焦炭沉积和烧结而面临重大障碍。在这里，我们报道了一种封装在以 Sn 单原子作为电子助催化剂的硅沸石-1 沸石中的 Ir 单原子，表现出显着的活性和稳定性，其显着高于先前报道的 Ir 基催化剂，并且与大多数 Pt 基催化剂相当。类似工业条件下的催化剂（600°C，C3H8/H2= 2/1）。光谱结果表明，Sn原子的引入促进了电子从Sn原子向Ir原子的转移，形成富电子的Irδ+物种。DFT计算表明，独特的电子结构降低了两步脱氢的能垒，有利于丙烷的吸附和丙烯的解吸，从而提高了活性和稳定性。