The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Metal-Embedded Graphene: A Possible Catalyst with High Activity
Abstract
The catalytic activity of Au-embedded graphene is investigated by the first-principle method using the CO oxidation as a benchmark probe. The first step of CO oxidation catalyzed by the Au-embedded graphene is most likely to proceed with the Langmuir−Hinshelwood reaction (CO + O 2 → OOCO → CO 2 +O), and the energy barrier is as low as 0.31 eV. The second step of the oxidation would be the Eley−Rideal reaction (CO + O → CO 2 ) with a much smaller energy barrier (0.18 eV). The partially filled d states of Au are localized around the Fermi level due to the interactions between Au and the neighboring carbon atoms. The high activity of Au-embedded graphene may be attributed to the electronic resonance among electronic states of CO, O 2, and the Au atom, particularly, among the d states of the Au atom and the antibonding 2π* states of CO and O 2 . This opens a new avenue to fabricate low cost and high activity carbon-based catalyst.
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Cites
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
Charging Effects on Bonding and Catalyzed Oxidation of CO on Au 8 Clusters on MgO
Yoon, B., Häkkinen, H., Landman, U., Wörz, A. S., Antonietti, J.-M., Abbet, S., Judai, K., & Heiz, U. (2005) · Science · doi:10.1126/science.1104168 · Cited by 1,430
Cited by
Support materials for PEMFC and DMFC electrocatalysts—A review
Sharma, S., & Pollet, B. G. (2012) · Journal of Power Sources · doi:10.1016/j.jpowsour.2012.02.011 · Cited by 1,206
CO Catalytic Oxidation on Copper-Embedded Graphene
Song, E. H., Wen, Z., & Jiang, Q. (2011) · The Journal of Physical Chemistry C · doi:10.1021/jp108978c · Cited by 355
Lin, S., Ye, X., Johnson, R. S., & Guo, H. (2013) · The Journal of Physical Chemistry C · doi:10.1021/jp4055445 · Cited by 346
A theoretical simulation on the catalytic oxidation of CO on Pt/graphene
Tang, Y., Yang, Z., & Dai, X. (2012) · Physical Chemistry Chemical Physics · doi:10.1039/c2cp41441d · Cited by 320
Synthesis and applications of graphene-based noble metal nanostructures
Tan, C., Huang, X., & Zhang, H. (2013) · Materials Today · doi:10.1016/j.mattod.2013.01.021 · Cited by 286
Metadata
- Authors
- Lu, Y.-H., Zhou, M., Zhang, C., & Feng, Y.-P.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2009-10-30
- Volume
- 113
- Issue
- 47
- Pages
- 20156-20160
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W2069201597
- Cited by
- 452
- References
- 2
- FWCI
- 6.86
- Type
- journal article
- Language
- en
- Open access
- closed
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- Lu, Y.-H., Zhou, M., Zhang, C., & Feng, Y.-P. (2009). Metal-Embedded Graphene: A Possible Catalyst with High Activity. The Journal of Physical Chemistry C. https://doi.org/10.1021/jp908829m
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