Efficient Surface to Bulk Catalysis in the Reverse Water–Gas Shift Reaction by the FeO x /Fe 3 C Catalyst

Unraveling the dynamic structural evolution and reaction mechanisms of catalysts from the surface to bulk phase is key to advancing the understanding of catalytic origins. Herein, we report that an in situ formed dynamic FeOx/Fe3C heterostructure serves as the catalytically active phase, enabling rapid carbon and oxygen atom exchange with reactants under the reverse water–gas shift (RWGS) reaction. On the disordered FeOx (1 ≤ x ≤ 1.5) surface, CO2 is dissociated into gaseous CO and surface O, while partial CO further decomposes into C that infiltrates into the Fe3C lattice. The C atoms from bulk Fe3C can combine with the O atoms on FeOx to form CO, allowing Fe3C to serve as a reservoir for C atom transfer.…

• NN
  National Natural Science Foundation of China

  Award: 22271177
• NS
  Natural Science Foundation of Shandong Province

  Award: ZR2023ZD21
• EA
  Engineering and Physical Sciences Research Council

  Award: EP/Z001730/1
• NK
  National Key Research and Development Program of China

  Award: 2021YFA1501103
• NS
  National Science Fund for Distinguished Young Scholars

  Award: U25A20549, 22225110