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题名: Co-Co2C and Co-Co2C/AC Catalysts for Hydroformylation of 1-Hexene under Low Pressure: Experimental and Theoretical Studies
作者: 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
刊名: JOURNAL OF PHYSICAL CHEMISTRY C
发表日期: 2014-08-21
DOI: 10.1021/jp504215y
卷: 118, 期:33, 页:19114-19122
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Physical ;  Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary
研究领域[WOS]: Chemistry ;  Science & Technology - Other Topics ;  Materials Science
英文摘要: Unsupported 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.
关键词[WOS]: FISCHER-TROPSCH SYNTHESIS ;  LINEAR ALPHA-ALCOHOLS ;  MINIMUM ENERGY PATHS ;  ELASTIC BAND METHOD ;  MOLYBDENUM CARBIDE ;  INORGANIC CARRIERS ;  TRANSITION-METALS ;  COBALT CATALYSTS ;  CO/AC CATALYSTS ;  OXYGENATE FUELS
语种: 英语
WOS记录号: WOS:000340809600032
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145656
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.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:
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.
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