Novel pathway for CO oxidation on a Fe2O3 cluster

doi:10.1016/j.cplett.2003.12.023

Chemical Physics Letters

Volume 384, Issues 4–6, 26 January 2004, Pages 242-245

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Abstract

Density functional studies of CO oxidation by Fe_nO_m (n=1, 2 and m=1–3) clusters are carried out. A new reaction path where a CO molecule adsorbed on to a surface Fe site breaks one FeO bond and a subsequent CO molecule is oxidized by the less coordinated O atom, proceeds in a barrier less manner. An attachment of CO and O₂ to this active Fe site results in the formation of CO₂ via a CO₃ intermediate. The role of charge transfer and the nature of intermediate states in reduced sizes are highlighted.

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Chemical Physics Letters

Novel pathway for CO oxidation on a Fe2O3 cluster

Abstract

Appl. Catal. B

Science

J. Chem. Phys.

J. Mol. Cat. A

Phys. Rev. Lett.

J. Am. Chem. Soc.

J. Appl. Phys.

Z. Phys. D

Novel pathway for CO oxidation on a Fe₂O₃ cluster