Please use this identifier to cite or link to this item:
|Title:||Metal-embedded graphene: A possible catalyst with high activity|
|Authors:||Lu, Y.-H. |
|Source:||Lu, Y.-H., Zhou, M., Zhang, C., Feng, Y.-P. (2009). Metal-embedded graphene: A possible catalyst with high activity. Journal of Physical Chemistry C 113 (47) : 20156-20160. ScholarBank@NUS Repository. https://doi.org/10.1021/jp908829m|
|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 + O2 → OOCO → CO2 +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 → CO2) 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, O2, and the Au atom, particularly, among the d states of the Au atom and the antibonding 2π* states of CO and O2. This opens a new avenue to fabricate low cost and high activity carbon-based catalyst. © 2009 American Chemical Society.|
|Source Title:||Journal of Physical Chemistry C|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Jan 15, 2018
WEB OF SCIENCETM
checked on Nov 22, 2017
checked on Jan 19, 2018
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.