2008 Annual Meeting

Session: Computational Catalysis I

TBA

Chair

Suljo Linic, University of Michigan

Co-Chair

John Kitchin, Carnegie Mellon University

Presentations

08:30 AM

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

08:55 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, Suljo Linic

09:20 AM

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

09:45 AM

(403d) Density Functional Theory Study of NOx Storage Reduction Catalysts
Randall J. Meyer, 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, Alberto Striolo

10:35 AM

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