Highly-efficient RuNi single-atom alloy catalysts toward chemoselective hydrogenation of nitroarenes

Wei Liu, Haisong Feng, Yusen Yang (), Yiming Niu, Lei Wang, Pan Yin, Song Hong, Bingsen Zhang, Xin Zhang () and Min Wei ()
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Wei Liu: Beijing University of Chemical Technology
Haisong Feng: Beijing University of Chemical Technology
Yusen Yang: Beijing University of Chemical Technology
Yiming Niu: Institute of Metal Research, Chinese Academy of Sciences
Lei Wang: Beijing University of Chemical Technology
Pan Yin: Beijing University of Chemical Technology
Song Hong: Beijing University of Chemical Technology
Bingsen Zhang: Institute of Metal Research, Chinese Academy of Sciences
Xin Zhang: Beijing University of Chemical Technology
Min Wei: Beijing University of Chemical Technology

Nature Communications, 2022, vol. 13, issue 1, 1-12

Abstract: Abstract The design and exploitation of high-performance catalysts have gained considerable attention in selective hydrogenation reactions, but remain a huge challenge. Herein, we report a RuNi single atom alloy (SAA) in which Ru single atoms are anchored onto Ni nanoparticle surface via Ru–Ni coordination accompanied with electron transfer from sub-surface Ni to Ru. The optimal catalyst 0.4% RuNi SAA exhibits simultaneously improved activity (TOF value: 4293 h–1) and chemoselectivity toward selective hydrogenation of 4-nitrostyrene to 4-aminostyrene (yield: >99%), which is, to the best of our knowledge, the highest level compared with reported heterogeneous catalysts. In situ experiments and theoretical calculations reveal that the Ru–Ni interfacial sites as intrinsic active centers facilitate the preferential cleavage of N–O bond with a decreased energy barrier by 0.28 eV. In addition, the Ru–Ni synergistic catalysis promotes the formation of intermediates (C8H7NO* and C8H7NOH*) and accelerates the rate-determining step (hydrogenation of C8H7NOH*).

Date: 2022
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DOI: 10.1038/s41467-022-30536-9

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