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Cited by 355

The DOI matches its Crossref record; 40 of the 40 references it cites were found in a registry or an index.

CO Catalytic Oxidation on Copper-Embedded Graphene

Song, E. H., Wen, Z., Jiang, Q.·2011·The Journal of Physical Chemistry C

Abstract

The catalytic oxidation of CO on Cu-embedded graphene is investigated by DFT. The reaction proceeds via a two-step mechanism of CO + O 2 → OOCO → CO 2 + O and CO + O → CO 2 . The energy barriers of the former are 0.25 and 0.54 eV, respectively, while the latter is a process with energetic drop. The high activity of Cu-embedded graphene may be attributed to the electronic resonance among electronic states of CO, O 2, and the Cu atom, particularly among Cu-3d, CO-2π*, and O 2 -2π* orbitals. This good catalytic activity opens a new avenue to fabricate carbon-based catalysts for CO oxidation with lower cost and higher activity.

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Metadata

Authors
Song, E. H., Wen, Z., & Jiang, Q.
Venue
The Journal of Physical Chemistry C
Published
2011-02-11
Volume
115
Issue
9
Pages
3678-3683
ISSN
  • 1932-7447 (ISSN-L)
  • 1932-7455
OpenAlex
W2334772894
Cited by
355
References
40
FWCI
9.45
Type
journal article
Language
en
Open access
closed

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