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

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 Ag 3 PO 4 for the ele...

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Bibliographic Details
Published in:Nature communications 2022-02, Vol.13 (1), p.932-8, Article 932
Main Authors: Ke, Jingwen, Zhao, Jiankang, Chi, Mingfang, Wang, Menglin, Kong, Xiangdong, Chang, Qixuan, Zhou, Weiran, Long, Chengxuan, Zeng, Jie, Geng, Zhigang
Format: Article
Language:English
Subjects:
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Crystals
Cubes
Electrocatalysts
Humanities and Social Sciences
Joint ventures
multidisciplinary
Phosphates
Propylene oxide
Reaction mechanisms
Science
Science (multidisciplinary)
Silver compounds
Tetrahedra
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Summary: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 Ag 3 PO 4 for the electrooxidation of propylene into propylene oxide. The Ag 3 PO 4 cubes with (100) facets exhibit the highest yield rate of 5.3 g PO m −2 h −1 at 2.4 V versus reversible hydrogen electrode, which is 1.6 and 2.5 times higher than those over Ag 3 PO 4 rhombic dodecahedra with (110) facets and tetrahedra with (111) facets, respectively. The theoretical calculations reveal that the largest polarization of propylene on Ag 3 PO 4 (100) facets is beneficial to break the symmetric π bonding and facilitate the formation of C-O bond. Meanwhile, Ag 3 PO 4 (100) facets exhibit the lowest adsorption energies of * C 3 H 6 and * OH, inducing the lowest energy barrier of the rate-determining step and thus accounting for the highest catalytic performance. The electrooxidation of propylene into propylene oxide is important in many industrial sectors. Here, the authors demonstrate efficient and facet-selective formation of propylene oxide using Ag 3 PO 4 cubes and investigate the reaction mechanism.
ISSN:2041-1723
2041-1723
DOI:10.1038/s41467-022-28516-0