Decoupling the electronic and geometric effects of Pt catalysts in selective hydrogenation reaction

• DOI: 10.1038/s41467-022-31313-4
• Publication Date: 2022-06-21T19:39:56Z
• Authors: Zhe Wang; Chunpeng Wang; Shanjun Mao; Bing Lu; Yuzhuo Chen; Xie Zhang; Zhirong Chen; Yong Wang
• Keywords: Antibonding molecular orbital; Decoupling (probability); Electronic effect

Abstract Decoupling the electronic and geometric effects has been a long cherished goal for heterogeneous catalysis due to their tangled relationship. Here, novel orthogonal decomposition method is firstly proposed settle this issue in p -chloronitrobenzene hydrogenation reaction on size- shape-controlled Pt nanoparticles (NPs) carried various supports. Results suggest Fermi levels of catalysts can be modulated by supports with varied work function ( W f ). And selectivity NPs similar size shape linearly related support. Optimized large weaken ability fill valence electrons into antibonding orbital C–Cl bond, finally suppressing hydrodehalogenation side reaction. Foremost, effect spun off through relation based series linear relationships over sizes reflecting effect. Moreover, separable nested double coordinate system established quantitatively evaluate two effects.