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Titanate nanotube-promoted chemical fixation of carbon dioxide to cyclic carbonate: a combined experimental and computational study
Chen, Aibing1; Zhao, Tiancong1,2; Gao, Hui2; Chen, Limin3; Chen, Jinzhu2; Yua, Yifeng1
2016
发表期刊CATALYSIS SCIENCE & TECHNOLOGY
卷号6期号:3页码:780-790
摘要Titanate nanotubes (TNT) were found to be air-and water-tolerant, efficient, and recyclable Lewis acid catalysts towards the cycloaddition of carbon dioxide (CO2) to propylene oxide (PO) for the synthesis of cyclic propylene carbonate (PC). Using TNT as the catalyst and potassium iodide, tetrabutylammonium bromide or tetraphenylphosphonium bromide as the co-catalyst, PO was readily converted to PC with a yield of up to >99.9% and a PC selectivity of 100% under relatively mild conditions. Experimental research revealed that the TNT catalyst with the highest exposure of active sites, including surface hydroxyl groups and Lewis acid sites, proved to be the most active for the cycloaddition reaction. Our theoretical evaluation based on density functional theory calculations further indicated that the high Lewis acidity of TNT strongly reduces the energy barrier for the ring-opening step through the polarization of the C-O bond of PO, which allows a subsequent nucleophilic attack easily. Both experimental and computational studies demonstrated that the synergetic effect between TNT and the co-catalyst plays an important role in PC formation. The TNT catalyst is richer in surface Lewis acid sites, shows a large surface area and mesoporous structure, and has a heterogeneous and recyclable nature, which makes TNT an excellent, interesting and ideal catalyst for chemical fixation of CO2.
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
DOI10.1039/c5cy01024a
研究领域[WOS]Chemistry
关键词[WOS]FUNCTIONALIZED IONIC LIQUID ; HIGHLY EFFICIENT CATALYST ; PROPYLENE-OXIDE ; PHOTOCATALYTIC ACTIVITY ; CALCINATION TEMPERATURE ; CHROMIUM PORPHYRIN ; ORGANIC CARBONATES ; BASE CATALYSTS ; CO2 ; EPOXIDES
收录类别SCI
语种英语
WOS类目Chemistry, Physical
WOS记录号WOS:000369533400022
引用统计
被引频次:7[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.giec.ac.cn/handle/344007/11011
专题中国科学院广州能源研究所
作者单位1.Hebei Univ Sci & Technol, Coll Chem & Pharmaceut Engn, Shijiazhuang 050018, Peoples R China
2.Chinese Acad Sci, Guangzhou Inst Energy Convers, CAS Key Lab Renewable Energy, Guangzhou 510640, Peoples R China
3.S China Univ Technol, Sch Environm & Energy, Guangzhou Higher Educ Mega Ctr, Guangzhou 510006, Guangdong, Peoples R China
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Chen, Aibing,Zhao, Tiancong,Gao, Hui,et al. Titanate nanotube-promoted chemical fixation of carbon dioxide to cyclic carbonate: a combined experimental and computational study[J]. CATALYSIS SCIENCE & TECHNOLOGY,2016,6(3):780-790.
APA Chen, Aibing,Zhao, Tiancong,Gao, Hui,Chen, Limin,Chen, Jinzhu,&Yua, Yifeng.(2016).Titanate nanotube-promoted chemical fixation of carbon dioxide to cyclic carbonate: a combined experimental and computational study.CATALYSIS SCIENCE & TECHNOLOGY,6(3),780-790.
MLA Chen, Aibing,et al."Titanate nanotube-promoted chemical fixation of carbon dioxide to cyclic carbonate: a combined experimental and computational study".CATALYSIS SCIENCE & TECHNOLOGY 6.3(2016):780-790.
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