Remarkable NO oxidation on single supported platinum atoms
Abstract
Our first-principles density functional theoretical modeling suggests that NO oxidation is feasible on fully oxidized single θ-alumina-supported platinum atoms via a modified Langmuir-Hinshelwood pathway. This is in contrast to the known decrease in NO oxidation activity of supported platinum with decreasing Pt particle size believed to be due to increased platinum oxidation. In order to validate our theoretical study, we evaluated single θ-Al2O3-supported platinum atoms and found them to exhibit remarkable NO oxidation activity. A comparison of turnover frequencies (TOF) of single supported Pt atoms with those of platinum particles for NO oxidation shows that single supported Pt atoms are as active as fully formed platinum particles. The overall picture of NO oxidation on supported Pt is that NO oxidation activity decreases with decreasing Pt particle size but accelerates when Pt is present only as single atoms.
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE)
- OSTI Identifier:
- 1185784
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 4; Journal Issue: 11; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Narula, Chaitanya K., Allard, Lawrence F., Stocks, G. M., and Moses-DeBusk, Melanie. Remarkable NO oxidation on single supported platinum atoms. United States: N. p., 2014.
Web. doi:10.1038/srep07238.
Narula, Chaitanya K., Allard, Lawrence F., Stocks, G. M., & Moses-DeBusk, Melanie. Remarkable NO oxidation on single supported platinum atoms. United States. https://doi.org/10.1038/srep07238
Narula, Chaitanya K., Allard, Lawrence F., Stocks, G. M., and Moses-DeBusk, Melanie. Fri .
"Remarkable NO oxidation on single supported platinum atoms". United States. https://doi.org/10.1038/srep07238. https://www.osti.gov/servlets/purl/1185784.
@article{osti_1185784,
title = {Remarkable NO oxidation on single supported platinum atoms},
author = {Narula, Chaitanya K. and Allard, Lawrence F. and Stocks, G. M. and Moses-DeBusk, Melanie},
abstractNote = {Our first-principles density functional theoretical modeling suggests that NO oxidation is feasible on fully oxidized single θ-alumina-supported platinum atoms via a modified Langmuir-Hinshelwood pathway. This is in contrast to the known decrease in NO oxidation activity of supported platinum with decreasing Pt particle size believed to be due to increased platinum oxidation. In order to validate our theoretical study, we evaluated single θ-Al2O3-supported platinum atoms and found them to exhibit remarkable NO oxidation activity. A comparison of turnover frequencies (TOF) of single supported Pt atoms with those of platinum particles for NO oxidation shows that single supported Pt atoms are as active as fully formed platinum particles. The overall picture of NO oxidation on supported Pt is that NO oxidation activity decreases with decreasing Pt particle size but accelerates when Pt is present only as single atoms.},
doi = {10.1038/srep07238},
journal = {Scientific Reports},
number = 11,
volume = 4,
place = {United States},
year = {Fri Nov 28 00:00:00 EST 2014},
month = {Fri Nov 28 00:00:00 EST 2014}
}
Web of Science
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