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Active Role of Oxide Support during CO Oxidation atAu/MgO
Abstract
The oxidation of CO at MgO supported gold aggregates is studied by means of density functional theory calculations. In addition to serving as a structural promoter holding the gold particles, the supporting oxide also takes an active role in the bonding and activation of adsorbates bound to the gold. The oxide stabilizes a peroxolike reaction intermediate, $\mathrm{C}\mathrm{O}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathrm{O}}_{2}$, and causes steric repulsion to CO. The most reactive site at $\mathrm{A}\mathrm{u}/\mathrm{M}\mathrm{g}\mathrm{O}$ appears where the gold shelters the MgO thereby creating a cavity where several low-coordinated Au atoms and ${\mathrm{M}\mathrm{g}}^{2+}$ cations from the substrate can interact simultaneously with an adsorbate.
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Atom-Resolved Imaging of Dynamic Shape Changes in Supported Copper Nanocrystals
Hansen, P. L., Wagner, J. B., Helveg, S., Rostrup-Nielsen, J. R., Clausen, B. S., & Topsøe, H. (2002) · Science · doi:10.1126/science.1069325 · Cited by 1,261
Cited by
The Active Site in Nanoparticle Gold Catalysis
Campbell, C. T. (2004) · Science · doi:10.1126/science.1104246 · Cited by 342
Hayden, B. E., Pletcher, D., & Suchsland, J. (2007) · Angewandte Chemie International Edition · doi:10.1002/anie.200604633 · Cited by 70
Metadata
- Authors
- Molina, L. M., & Hammer, B.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2003-05-23
- Volume
- 90
- Issue
- 20
- Pages
- 206102-206102
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2095705976
- Cited by
- 461
- References
- 1
- FWCI
- 18.86
- Type
- journal article
- Language
- en
- Open access
- closed
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