选择性
催化作用
化学
密度泛函理论
氧化物
有机化学
烯烃纤维
多相催化
反应性(心理学)
组合化学
烯烃复分解
纳米颗粒
无机化学
光化学
联轴节(管道)
作者
Zhongtao Sun,Jielang Huang,Zijie Ji,Kexin Feng,Dongyuan Liu,Chongchong Wu,Yi Zhang
出处
期刊:ACS Catalysis
[American Chemical Society]
日期:2026-01-29
卷期号:16 (4): 3926-3941
被引量:1
标识
DOI:10.1021/acscatal.5c08832
摘要
The conversion of CO2 to olefins using iron-based catalysts has garnered significant interest due to its potential in reducing CO2 emissions. Herein, a Na-promoted ZnFe2O4 catalyst exhibits a high CO2 conversion (36.0%) and olefin selectivity (81.0%). Based on the combined results of various characterization techniques, including XPS, Mössbauer spectroscopy, XAS, and DFT calculations, the ZnFe2O4 catalyst induces a relatively electron-deficient state in the χ-Fe5C2 species compared with Zn-promoted iron oxide catalyst, thereby promoting olefin formation during CO2 hydrogenation. DFT calculations show that the ZnFe2O4 catalyst demonstrates a favorable capability for CH2 coupling to form olefins. The Na promoter enhances CO2 adsorption, thereby reducing the H/C ratio on the catalyst surface and promoting the formation of olefins. The synergistic effect between the Na promoter and the relatively electron-deficient χ-Fe5C2 species on the 0.5Na/ZnFe2O4 catalyst results in the highest observed olefin selectivity during CO2 hydrogenation.
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