Session: Computational Catalysis I (2008 Annual Meeting)

Computational Catalysis I

Wednesday, November 19, 2008: 8:30 AM

401/402 (Marriott Philadelphia Downtown)

Description:

TBA

Sponsor:

Catalysis and Reaction Engineering Division

Co-Sponsor(s):

Low Pressure (01g), Computational Molecular Science and Engineering Forum (21)

Chair:

Suljo Linic
Email: linic@umich.edu

CoChair:

John Kitchin
Email: jkitchin@andrew.cmu.edu

8:30 AM

(403a) Nano-Scale Environmental Effects In the Reactivity of Platinum Clusters
Ye Xu, Rachel B. Getman, William A. Shelton Jr. and William F. Schneider

8:55 AM

(403b) Adsorbate-Adsorbate Interactions In Heterogeneous Catalysis: DFT and Ab Initio Thermodynamic Studies of Pressure- and Temperature-Dependant Impact of Alkalis on Oxidation Reactions
Hongliang Xin and Suljo Linic

9:20 AM

(403c) Different Wetting Behaviors of Pd and Rh on the CeO₂(111) Surface. A DFT and Hrtem Study
Liang Chen, Xiaoqing Pan and George Graham

9:45 AM

(403d) Density Functional Theory Study of NOx Storage Reduction Catalysts
Randall Meyer and Jelena Jelic

10:10 AM

(403e) Support Effects on the Catalytic Properties of Pt-Au Bimetallic Nanoparticles. A Multi-Scale Simulation Study
Brian H. Morrow and Alberto Striolo

10:35 AM

(403f) Theoretical and Experimental Studies of Hydrogen Production from Ammonia Decomposition
Danielle A. Hansgen, Jingguang G. Chen and Dion Vlachos

See more of this Group/Topical: Catalysis and Reaction Engineering Division

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