文献类型：期刊文献

英文题名：Tunable Carbon Dioxide Activation Pathway over Iron Oxide Catalysts: Effects of Potassium

作者：Tian, Pengfei[1,2];Gu, Mengwei[1];Qiu, Runfa[1];Yang, Zixu[1];Xuan, Fuzhen[2];Zhu, Minghui[1]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Minist Educ, Key Lab Pressure Syst & Safety, Shanghai 200237, Peoples R China

年份：2021

卷号：60

期号：24

起止页码：8705

外文期刊名：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

收录：;EI(收录号：20212610564027);WOS:【SCI-EXPANDED(收录号:WOS:000667984100010)】；

基金：This work is sponsored by the National Natural Science Foundation of China (22078089), the Program for Professor of Special Appointment (Eastern Scholar) at the Shanghai Institutions of Higher Learning, Shanghai Sailing Program (19YF1410600), and the Fundamental Research Funds for the Central Universities (JKA012016018).

语种：英文

外文关键词：Potassium - Chemical activation - Catalysts - Chemical shift - Water gas shift - Iron oxides - Calculations

摘要：The activation of CO2 to form CO, known as the reverse water-gas shift (RWGS) reaction, is an initial and essential step of numerous CO2 hydrogenation reactions. However, the reaction is challenging, and the underlying CO2 activation mechanism is usually overlooked when designing new heterogeneous catalysts. In this work, we investigate the effect of potassium, a common alkali metal promoter, on the iron oxide catalysts using a series of (quasi) in situ characterization techniques, kinetic analysis, and first-principles calculations. It is revealed that introducing potassium increases the surface basicity and steers the preferred CO2 activation reaction route from a "redox" pathway to an "associative" pathway. Understanding the controlling factors and competitiveness of the two CO2 activation mechanisms can potentially benefit the rational design of CO2 hydrogenation catalysts.