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• W3196715498 abstract "• The effect of surface carbon on ethylene dimerization is investigated on a Co 3 C-Co/SiO 2 model catalyst. • The Co 3 C-Co/SiO 2 catalyst shows a high selectivity of C 4 products compared with Co/SiO 2 catalyst. • Surface carbon blocks hydrogen adsorption suppressing hydrogenation of ethylene to ethane and promoting dimerization to C 4 products. • DFT calculations reveal that the effective barrier of CCH 3 * dimerization on Co 3 C is lower than that on Co, explaining the high selectivity to C 4 products on the Co 3 C-Co/SiO 2 catalyst. The oligomerization of olefins is important to the production of the high hydrocarbons. In the oligomerization process, it is always accompanied by the reaction of hydrogenation. In the present article, we report that surface carbon affects the ethylene (C 2 H 4 ) hydrogenation on the supported cobalt catalysts. Co/SiO 2 catalyst is carburized with CO and Co 3 C structure as well as Co structure is revealed with Transmission Electron Microscopy (TEM). We investigate ethylene hydrogenation on the Co/SiO 2 catalyst and the carburized Co 3 C-Co/SiO 2 catalyst. It exhibits a high selectivity of C 4 products on the carburized Co 3 C-Co/SiO 2 catalyst. We further apply Density Functional Theory (DFT) calculation to study the effect of surface carbon on the dimerization of ethylene. Co(0001) and Co 3 C(2 2 1) are chosen to represent the Co/SiO 2 and Co 3 C-Co/SiO 2 catalysts, respectively. The dimerization of ethylene occurs by CCH 3 * species coupling instead of CH 2 CH 2 * coupling. The effective barrier of CCH 3 * coupling on Co(0001) is higher than that on Co 3 C(2 2 1). This explains the high selectivity to C 4 products on the carburized Co 3 C-Co/SiO 2 catalyst. Our study provides experimental and theoretical insight for the effect of surface carbon to the reaction of ethylene with hydrogen. It may guide us to reasonable design of the catalyst for olefin oligomerization." @default.
• W3196715498 created "2021-09-13" @default.
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• W3196715498 date "2021-12-01" @default.
• W3196715498 modified "2023-10-15" @default.
• W3196715498 title "The effect of surface carbon on ethylene dimerization" @default.
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• W3196715498 doi "https://doi.org/10.1016/j.apsusc.2021.151210" @default.
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