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Co-Co2C and Co-Co2C/AC Catalysts for Hydroformylation of 1-Hexene under Low Pressure: Experimental and Theoretical Studies
Dong, Wenda1,3; Liu, Jinxun2,3; Zhu, Hejun1; Ding, Yunjie1,2; Pei, Yanpeng1,3; Liu, Jia1,3; Du, Hong1,3; Jiang, Miao1,3; Liu, Tao1; Su, Haiyan2; Li, Weixue2
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
2014-08-21
DOI10.1021/jp504215y
Volume118Issue:33Pages:19114-19122
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science
WOS KeywordFISCHER-TROPSCH SYNTHESIS ; LINEAR ALPHA-ALCOHOLS ; MINIMUM ENERGY PATHS ; ELASTIC BAND METHOD ; MOLYBDENUM CARBIDE ; INORGANIC CARRIERS ; TRANSITION-METALS ; COBALT CATALYSTS ; CO/AC CATALYSTS ; OXYGENATE FUELS
AbstractUnsupported Co-Co2C catalyst and active carbon supported Co-Co2C (Co-Co2C/AC) catalysts were prepared and have been first proven to be highly active for 1-hexene hydroformylation under low pressure (P = 3.0 MPa and T = 453 K). It is found that the catalytic performances over the Co-Co2C and Co-Co2C/AC catalysts were strongly dependent on the ratio of Co2C to Co. Highly catalytic performances were achieved with the XRD intensity ratio of Co2C to Co ranging from 0.7 to 1.2. Co-Co2C/AC catalyst with carburization for 20 h has a highly catalytic stability for 1-hexene hydroformylation with a time stream of 140 h, indicating that no dissolved cobalt carbonyl species were formed and thus led to no cobalt elusion during hydroformylation under reaction conditions. Density functional theory (DFT) calculations have been conducted to understand the nature of the catalytic performance. We found that the interface between Co and Co2C plays a significant role in ethylene hydroformylation. Metallic Co sites are used for olefin adsorption and activation to form surface carbonaceous species, while Co2C sites, for CO molecular adsorption, activation, and insertion. Our results have provided a strategy for designing highly active bifunctional non-noble metal catalysts.
Language英语
WOS IDWOS:000340809600032
Citation statistics
Cited Times:13[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/145656
Collection中国科学院大连化学物理研究所
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian Natl Lab Clean Energy, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100039, Peoples R China
Recommended Citation
GB/T 7714
Dong, Wenda,Liu, Jinxun,Zhu, Hejun,et al. Co-Co2C and Co-Co2C/AC Catalysts for Hydroformylation of 1-Hexene under Low Pressure: Experimental and Theoretical Studies[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2014,118(33):19114-19122.
APA Dong, Wenda.,Liu, Jinxun.,Zhu, Hejun.,Ding, Yunjie.,Pei, Yanpeng.,...&Li, Weixue.(2014).Co-Co2C and Co-Co2C/AC Catalysts for Hydroformylation of 1-Hexene under Low Pressure: Experimental and Theoretical Studies.JOURNAL OF PHYSICAL CHEMISTRY C,118(33),19114-19122.
MLA Dong, Wenda,et al."Co-Co2C and Co-Co2C/AC Catalysts for Hydroformylation of 1-Hexene under Low Pressure: Experimental and Theoretical Studies".JOURNAL OF PHYSICAL CHEMISTRY C 118.33(2014):19114-19122.
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