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Impact of the Cu2O microcrystal planes on active phase formation in the Rochow reaction and an experimental and theoretical understanding of the reaction mechanism
Li, Jing1,2; Yin, Li-Li3; Ji, Yongjun1; Liu, Hezhi1; Zhang, Yu1,2; Gong, Xue-Qing3; Zhong, Ziyi4; Su, Fabing1,5
2018-05-01
Source PublicationJOURNAL OF CATALYSIS
ISSN0021-9517
Volume361Pages:73-83
Abstract

In heterogeneous catalysis, on one hand, people always want to know about reaction details, such as what the most active phase is, how it is formed, and what is the reaction mechanism. On the other hand, it is still very challenging to probe these reaction details, particularly at high reaction temperatures and pressures. Here, we report the microcrystal plane-controlled catalytic performance on well-defined Cu2O cube, octahedron, and rhombic-dodecahedron catalysts in the Rochow reaction. It was found that the Cu2O cube exposing {100} crystal planes gave the highest dimethyldichlorosilane selectivity and yield, while the Cu2O rhombic-dodecahedron exposing {110} crystal planes showed the lowest selectivity and yield. Our experimental observation, as well as density functional theory calculations, demonstrated that the enhanced selectivity and yield stemmed from the stronger dissociative adsorption of methyl chloride on the Cu2O{100} plane, which greatly promoted the transformation of Cu2O into Cu3Si active phases under the reaction conditions. This work reveals a new strategy for controlling the surface structure of catalysts in order to enhance their catalytic performance. (C) 2018 Elsevier Inc. All rights reserved.

KeywordCu2o Microcrystals Crystal Plane Heterogeneous Catalysis Rochow Reaction Catalytic Performance
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
DOI10.1016/j.jcat.2018.02.010
Indexed BySCI
Language英语
WOS KeywordDependent Catalytic-activity ; Initio Molecular-dynamics ; Photocatalytic Activity ; Oxide Nanocrystals ; Copper ; Metal ; Shape ; Methylchlorosilanes ; Selectivity ; Oxidation
WOS Research AreaChemistry ; Engineering
WOS SubjectChemistry, Physical ; Engineering, Chemical
Funding OrganizationNational Natural Science Foundation of China(21506224)
WOS IDWOS:000431164500009
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/24417
Collection多相复杂系统国家重点实验室
Affiliation1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.East China Univ Sci & Technol, Sch Chem & Mol Engn, Ctr Computat Chem, Key Lab Adv Mat,Res Inst Ind Catalysis, Shanghai 200237, Peoples R China
4.ASTAR, Inst Chem & Engn Sci, 1 Pesek Rd, Singapore 627833, Singapore
5.Shenyang Univ Chem Technol, Inst Ind Chem & Energy Technol, Shenyang 110142, Liaoning, Peoples R China
Recommended Citation
GB/T 7714
Li, Jing,Yin, Li-Li,Ji, Yongjun,et al. Impact of the Cu2O microcrystal planes on active phase formation in the Rochow reaction and an experimental and theoretical understanding of the reaction mechanism[J]. JOURNAL OF CATALYSIS,2018,361:73-83.
APA Li, Jing.,Yin, Li-Li.,Ji, Yongjun.,Liu, Hezhi.,Zhang, Yu.,...&Su, Fabing.(2018).Impact of the Cu2O microcrystal planes on active phase formation in the Rochow reaction and an experimental and theoretical understanding of the reaction mechanism.JOURNAL OF CATALYSIS,361,73-83.
MLA Li, Jing,et al."Impact of the Cu2O microcrystal planes on active phase formation in the Rochow reaction and an experimental and theoretical understanding of the reaction mechanism".JOURNAL OF CATALYSIS 361(2018):73-83.
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