Facet-dependent electrooxidation of propylene into propylene oxide over Ag3PO4 crystals

Jingwen Ke, Jiankang Zhao, Mingfang Chi, Menglin Wang, Xiangdong Kong, Qixuan Chang, Weiran Zhou, Chengxuan Long, Jie Zeng and Zhigang Geng ()
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Jingwen Ke: University of Science and Technology of China
Jiankang Zhao: University of Science and Technology of China
Mingfang Chi: University of Science and Technology of China
Menglin Wang: University of Science and Technology of China
Xiangdong Kong: University of Science and Technology of China
Qixuan Chang: University of Science and Technology of China
Weiran Zhou: University of Science and Technology of China
Chengxuan Long: University of Science and Technology of China
Jie Zeng: University of Science and Technology of China
Zhigang Geng: University of Science and Technology of China

Nature Communications, 2022, vol. 13, issue 1, 1-8

Abstract: Abstract The electrooxidation of propylene into propylene oxide under ambient conditions represents an attractive approach toward propylene oxide. However, this process suffers from a low yield rate over reported electrocatalysts. In this work, we develop an efficient electrocatalyst of Ag3PO4 for the electrooxidation of propylene into propylene oxide. The Ag3PO4 cubes with (100) facets exhibit the highest yield rate of 5.3 gPO m−2 h−1 at 2.4 V versus reversible hydrogen electrode, which is 1.6 and 2.5 times higher than those over Ag3PO4 rhombic dodecahedra with (110) facets and tetrahedra with (111) facets, respectively. The theoretical calculations reveal that the largest polarization of propylene on Ag3PO4 (100) facets is beneficial to break the symmetric π bonding and facilitate the formation of C-O bond. Meanwhile, Ag3PO4(100) facets exhibit the lowest adsorption energies of *C3H6 and *OH, inducing the lowest energy barrier of the rate-determining step and thus accounting for the highest catalytic performance.

Date: 2022
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DOI: 10.1038/s41467-022-28516-0

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