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首页> 外文期刊>Applied Surface Science >C_2H_2 semi-hydrogenation over the supported Pd and Cu catalysts: The effects of the support types, properties and metal-support interaction on C_2H_4 selectivity and activity
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C_2H_2 semi-hydrogenation over the supported Pd and Cu catalysts: The effects of the support types, properties and metal-support interaction on C_2H_4 selectivity and activity

机译：负载的Pd和Cu催化剂上的C_2H_2半加氢：载体类型，性质和金属-载体相互作用对C_2H_4选择性和活性的影响

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摘要

Aiming at identifying the effects of the support types, properties and the metal-support interaction of the supported catalysts on C2H4 selectivity and its formation activity for C2H2 semi-hydrogenation, the corresponding mechanism over the supported Pd and Cu catalysts with different supports are fully studied based on DFT calculations. This work indicates that the support types and properties change the selectivity of C2H4 and its formation activity, for the supported Pd catalysts, the oxygen-vacancy anatase and rutile TiO2 supports present much better selectivity of C2H4 and its formation activity than the pure Pd catalyst does; especially, the anatase exhibits better catalytic performance than the rutile, in which the oxygen-vacancy show the crucial function. For the supported Cu catalysts, gamma-Al2O3 is unable to enhance C2H4 selectivity compared to the pure Cu catalyst, whereas MgO support improves C2H4 selectivity but reduces its formation activity. Further, the metal-support interaction of the supported Pd catalysts are much stronger than that of the supported Cu catalyst, which results in better activity and selectivity of C2H4 over the supported Pd catalysts. This study can give out a valuable clue for the preparation of the supported Pd or Cu catalysts with better performance in C2H2 semi-hydrogenation.
机译：为了确定载体类型，性质以及负载型催化剂的金属-载体相互作用对C2H4选择性及其对C2H2半加氢反应的形成活性的影响，充分研究了负载型Pd和Cu催化剂在不同载体上的形成机理。基于DFT计算。这项工作表明，载体类型和性质改变了C2H4的选择性及其形成活性，对于负载的Pd催化剂，氧空位锐钛矿和金红石TiO2载体比纯Pd催化剂具有更好的C2H4选择性和其形成活性。 ;特别是，锐钛矿具有比金红石更好的催化性能，其中氧空位显示出关键的功能。对于负载型Cu催化剂，与纯Cu催化剂相比，γ-Al2O3无法提高C2H4选择性，而MgO载体可提高C2H4选择性，但会降低其形成活性。此外，负载的Pd催化剂的金属-载体相互作用比负载的Cu催化剂的金属-载体相互作用强得多，这导致C 2 H 4的活性和选择性优于负载的Pd催化剂。这项研究可以为制备具有更好的C2H2半加氢性能的负载型Pd或Cu催化剂提供有价值的线索。

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