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Catalytic CO Oxidation by a Gold Nanoparticle: A Density Functional Study
Abstract
Gold is usually considered very noble. It does not oxidize, and the surface of gold cannot adsorb most molecules from the gas phase. Yet it has been found that nanometer size gold particles on different oxide supports can act as catalysts even at or below room temperature. We present self-consistent density functional calculations showing that even an isolated Au10 cluster should be able to catalyze the CO oxidation reaction even below room temperature. We use the calculations to analyze the origin of this effect and suggest that the extraordinary reactivity can be traced back to special reaction geometries available at small particles in combination with an enhanced ability of low coordinated gold atoms to interact with molecules from the surroundings.
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Citations
Cited by
Hashmi, A. S. K., & Hutchings, G. J. (2006) · Angewandte Chemie International Edition · doi:10.1002/anie.200602454 · Cited by 3,423
Stabilization of Platinum Oxygen-Reduction Electrocatalysts Using Gold Clusters
Zhang, J., Sasaki, K., Sutter, E., & Adzic, R. R. (2007) · Science · doi:10.1126/science.1134569 · Cited by 1,779
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
Active Sites of Au and Ag Nanoparticle Catalysts for CO2 Electroreduction to CO
Back, S., Yeom, M. S., & Jung, Y. (2015) · ACS Catalysis · doi:10.1021/acscatal.5b00462 · Cited by 545
Tsukamoto, D., Shiro, A., Shiraishi, Y., Sugano, Y., Ichikawa, S., Tanaka, S., & Hirai, T. (2012) · ACS Catalysis · doi:10.1021/cs2006873 · Cited by 478
Metadata
- Authors
- Lopez, N., & Nørskov, J. K.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2002-08-31
- Volume
- 124
- Issue
- 38
- Pages
- 11262-11263
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2073936730
- Cited by
- 739
- References
- 0
- FWCI
- 25.97
- Type
- journal article
- Language
- en
- Open access
- closed
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