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Elucidating the Nature of the Active Phase in Copper/Ceria Catalysts for CO Oxidation

Author(s)
Bugnet, Matthieu; Botton, Gianluigi A.; Elias, Joseph Spanjaard; Artrith, Nongnuch; Giordano, Livia; Kolpak, Alexie M.; Shao-Horn, Yang; ... Show more Show less
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Abstract
The active phase responsible for low-temperature CO oxidation in nanoparticulate CuO/CeO[subscript 2] catalysts was identified as surface-substituted Cu[subscript y]Ce[subscript 1–y]O[subscript 2–x]. Contrary to previous studies, our measurements on a library of well-defined CuO/CeO[subscript 2] catalysts have proven that the CuO phase is a spectator species, whereas the surface-substituted Cu[subscript y]Ce[subscript 1–y]O[subscript 2–x] phase is active for CO oxidation. Using in situ X-ray absorption spectroscopy, we found that the copper ions in Cu[subscript y]Ce[subscript 1–y]O[subscript 2–x] remain at high oxidation states (Cu[superscript 3+] and Cu[superscript 2+]) under oxygen-rich catalytic conditions without any evidence for Cu+. Artificial neural network potential Monte Carlo simulations suggest that Cu[superscript 3+] and Cu[superscript 2+] preferentially segregate to the {100} surface of the Cu[subscript y]Ce[subscript 1–y]O[subscript 2–x] nanoparticle, which is supported by aberration-corrected electron microscopy measurements. These results pave the way for understanding, at the atomic level, the mechanisms and descriptors pertinent for CO oxidation on these materials and hence the rational design of next-generation catalysts.
Date issued
2016-02
URI
http://hdl.handle.net/1721.1/109533
Department
Massachusetts Institute of Technology. Department of Chemistry; Massachusetts Institute of Technology. Department of Materials Science and Engineering; Massachusetts Institute of Technology. Department of Mechanical Engineering; Massachusetts Institute of Technology. Research Laboratory of Electronics
Journal
ACS Catalysis
Publisher
American Chemical Society (ACS)
Citation
Elias, Joseph S., Nongnuch Artrith, Matthieu Bugnet, Livia Giordano, Gianluigi A. Botton, Alexie M. Kolpak, and Yang Shao-Horn. “Elucidating the Nature of the Active Phase in Copper/Ceria Catalysts for CO Oxidation.” ACS Catalysis 6, no. 3 (March 4, 2016): 1675–1679.
Version: Author's final manuscript
ISSN
2155-5435
2155-5435

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