气候变化领域集成服务门户(CCPortal): Selectivity descriptors for the direct hydrogenation of CO2 to hydrocarbons during zeolite-mediated bifunctional catalysis

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DOI	10.1038/s41467-021-26090-5
	Selectivity descriptors for the direct hydrogenation of CO2 to hydrocarbons during zeolite-mediated bifunctional catalysis
	Ramirez A.; Gong X.; Caglayan M.; Nastase S.-A.F.; Abou-Hamad E.; Gevers L.; Cavallo L.; Dutta Chowdhury A.; Gascon J.
发表日期	2021
ISSN	2041-1723
卷号	12 期号:1
英文摘要	Cascade processes are gaining momentum in heterogeneous catalysis. The combination of several catalytic solids within one reactor has shown great promise for the one-step valorization of C1-feedstocks. The combination of metal-based catalysts and zeolites in the gas phase hydrogenation of CO2 leads to a large degree of product selectivity control, defined mainly by zeolites. However, a great deal of mechanistic understanding remains unclear: metal-based catalysts usually lead to complex product compositions that may result in unexpected zeolite reactivity. Here we present an in-depth multivariate analysis of the chemistry involved in eight different zeolite topologies when combined with a highly active Fe-based catalyst in the hydrogenation of CO2 to olefins, aromatics, and paraffins. Solid-state NMR spectroscopy and computational analysis demonstrate that the hybrid nature of the active zeolite catalyst and its preferred CO2-derived reaction intermediates (CO/ester/ketone/hydrocarbons, i.e., inorganic-organic supramolecular reactive centers), along with 10 MR-zeolite topology, act as descriptors governing the ultimate product selectivity. © 2021, The Author(s).
语种	英语
scopus关键词	alkene; aromatic compound; carbon dioxide; carbon monoxide; ester; hydrocarbon; iron; ketone; paraffin; zeolite; catalyst; hydrogen; momentum; multivariate analysis; nuclear magnetic resonance; valorization; zeolite; adsorption; Article; atmospheric pressure; catalysis; catalyst; chemical industry; chemical structure; climate change; controlled study; hydrogenation; molecular size; nuclear magnetic resonance spectroscopy; reaction analysis; solid state; tautomerization
来源期刊	Nature Communications
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/251341
作者单位	KAUST Catalysis Center (KCC), King Abdullah University of Science and Technology (KAUST), Thuwal, 23955, Saudi Arabia; The Institute for Advanced Studies (IAS), Wuhan University, Wuhan, Hubei 430072, China; Imaging and Characterization Department, KAUST Core Labs, King Abdullah University of Science and Technology (KAUST), Thuwal, 23955, Saudi Arabia
推荐引用方式 GB/T 7714	Ramirez A.,Gong X.,Caglayan M.,et al. Selectivity descriptors for the direct hydrogenation of CO2 to hydrocarbons during zeolite-mediated bifunctional catalysis[J],2021,12(1).
APA	Ramirez A..,Gong X..,Caglayan M..,Nastase S.-A.F..,Abou-Hamad E..,...&Gascon J..(2021).Selectivity descriptors for the direct hydrogenation of CO2 to hydrocarbons during zeolite-mediated bifunctional catalysis.Nature Communications,12(1).
MLA	Ramirez A.,et al."Selectivity descriptors for the direct hydrogenation of CO2 to hydrocarbons during zeolite-mediated bifunctional catalysis".Nature Communications 12.1(2021).