Skip to main content

Fundamental Studies of Nitrogen Oxide Surface chemistry: A Model System approach


EMSL Project ID
19198

Abstract

Abstract

In our proposed research we will employ a model system approach to elucidate the structure-reactivity relationships of base-metal oxide nanostructures supported on planar oxide substrates. The major effort will focus on the atomic level understanding of NOx chemistry on BaO nanoparticles supported on Al2O3. This central effort will be supplemented by investigations on H2O, SO2 and CO2 as adsorbates/reactans and TiO2(110), CeO2(111)/YSZ(111), and FeO(111)/Pt(111) as substrates.

Project Details

Project type
Large-Scale EMSL Research
Start Date
2006-07-21
End Date
2008-10-27
Status
Closed

Team

Principal Investigator

Janos Szanyi
Institution
Pacific Northwest National Laboratory

Team Members

Rye Terrell
Institution
University of Texas at Austin

Falko Netzer
Institution
Karl-Franzens Universitaet Graz

Donghai Mei
Institution
Tiangong University

Cheol-woo Yi
Institution
Sungshin Women's University

Igor Lyubinetsky
Institution
Pacific Northwest National Laboratory

Charles Peden
Institution
Pacific Northwest National Laboratory

Yong Joo Kim
Institution
Hanbat National University

Graeme Henkelman
Institution
University of Texas at Austin

Related Publications

167) Yi, C.-W.; Kwak, J.H.; Peden, C.H.F.; Wang, C.; Szanyi, J. "Understanding Practical Catalysts Using a Surface Science Approach: The Importance of a Strong Interaction between BaO and Al2O3 in NOx Storage Materials." J. Phys. Chem. C 111 (2007) 14942-14944.
Kwak JH, D Mei, CWW Yi, DH Kim, CHF Peden, L Allard, and J Szanyi. 2009. "Understanding the nature of surface nitrates in BaO/gamma-Al2O3 NOx storage materials: A combined experimental and theoretical study ." Journal of Catalysis 261(1):17-22.
Kwak, J.H.; Hu, J.Z.; Kim, D.H.; Szanyi, J.; Peden, C.H.F. "Penta-coordinated Al3+ Ions as Preferential Nucleation Sites for BaO on γ-Al2O3: an Ultra-High Magnetic Field 27Al MAS NMR Study." J. Catal. 251 (2007) 189-194.
Mei, D.; Ge, Q.; Kwak, J.H.; Kim, D.H.; Szanyi, J.; Peden, C.H.F. "Adsorption and Formation of BaO Overlayers on γ Al2O3 Surfaces." J. Phys. Chem. C 112 (2008) 18050 18060.
Mei, D.; Ge, Q.; Kwak, J.H.; Kim, D.H.; Verrier, C.; Szanyi, J.; Peden, C.H.F. "Characterization of Surface and Bulk Nitrates of γ-Al2O3?Supported Alkaline Earth Oxides using Density Functional Theory." Phys. Chem. Chem. Phys. 11 (2009) 3380-3389.
Mei, D.; Ge, Q.; Szanyi, J.; Peden, C.H.F. "A First-Principles Analysis of NOx Adsorption on Anhydrous γ-Al2O3 Surfaces." J. Phys. Chem. C 113 (2009) 7779-7789.
Ozensoy, E.; Peden, C.H.F.; Szanyi, J. "Ba Deposition and Oxidation on θ Al2O3/NiAl(100) Ultra Thin Films. Part I: Anaerobic Deposition Conditions." J. Phys. Chem. B 110 (2006) 17001-17008.
Ozensoy, E.; Peden, C.H.F.; Szanyi, J. "Ba Deposition and Oxidation on θ Al2O3/NiAl(100) Ultra Thin Films. Part II: O2(g) Assisted Ba Oxidation." J. Phys. Chem. B 110 (2006) 17009-17014.
Ozensoy, E.; Peden, C.H.F.; Szanyi, J. "Model NOx Storage Systems: Storage Capacity and Thermal Aging of BaO/θ Al2O3/NiAl(100)." J. Catal. 243 (2006) 149-157.
Ozensoy, E.; Szanyi, J.; Peden, C.H.F. "NO2 Adsorption on Ultrathin θ-Al2O3 Films: Formation of Nitrite and Nitrate Species." J. Phys. Chem. B 109 (2005) 15977-15984.
Yezerets A, CHF Peden, J Szanyi, I Nova, and B Epling. 2012. "Preface: Special Issue on Catalytic Control of Lean-Burn Engine Exhaust Emissions." Catalysis Today 184(1):1. doi:10.1016/j.cattod.2012.02.011
Yi C, and J Szanyi. 2009. "Reaction of NO2 with a pure, thick BaO film: the effect of temperature on the nature of NOx species formed." Journal of Physical Chemistry C 113(6):2134-2140.
Yi CWW, and J Szanyi. 2009. "BaO/Al2O3/NiAl(110) Model NOx Storage Materials: the effect of BaO film thickness on the amorphous-to-crystalline Ba(NO3)2 phase transition." Journal of Physical Chemistry C 113(2):716-723.