Identifying Performance Descriptors in CO2 Hydrogenation over Iron-Based Catalysts Promoted with Alkali Metals

Qingxin Yang, Vita A. Kondratenko, Sergey A. Petrov, Dmitry E. Doronkin, Erisa Saraçi, Henrik Lund, Aleks Arinchtein, Ralph Kraehnert, Andrey S. Skrypnik, Alexander A. Matvienko, Evgenii V. Kondratenko

Research output: Contribution to journalArticlepeer-review

Abstract

Alkali metal promoters have been widely employed for preparation of heterogeneous catalysts used in many industrially important reactions. However, the fundamentals of their effects are usually difficult to access. Herein, we unravel mechanistic and kinetic aspects of the role of alkali metals in CO2 hydrogenation over Fe-based catalysts through state-of-the-art characterization techniques, spatially resolved steady-state and transient kinetic analyses. The promoters affect electronic properties of iron in iron carbides. These carbide characteristics determine catalyst ability to activate H2, CO and CO2. The Allen scale electronegativity of alkali metal promoter was successfully correlated with the rates of CO2 hydrogenation to higher hydrocarbons and CH4 as well as with the rate constants of individual steps of CO or CO2 activation. The derived knowledge can be valuable for designing and preparing catalysts applied in other reactions where such promoters are also used.

Original languageEnglish
Article numbere202116517
Number of pages10
JournalAngewandte Chemie - International Edition
Volume61
Issue number22
Early online date4 Mar 2022
DOIs
Publication statusPublished - 23 May 2022

Keywords

  • CO Utilization
  • Heterogeneous Catalysis
  • Hydrogenation
  • Iron
  • Kinetics

OECD FOS+WOS

  • 2.04 CHEMICAL ENGINEERING
  • 1.04 CHEMICAL SCIENCES

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