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Fund - Theory in Catalysis - Session 2a

Monday, June 8, 2009: 9:40 AM-12:00 PM
Bayview Room (Hyatt Regency San Francisco)
Chairs:
Michael Janik and John R. Kitchin
9:40 AM
OE01
Bridging the Environment Gap using First-Principles-Based Catalyst Modeling
William F. Schneider, University of Notre Dame; Rachel B. Getman, University of Notre Dame; Abhijit Phatak, University of Notre Dame; David Schmidt, University of Notre Dame; Hangyao Wang, University of Notre Dame; Ye Xu, Oak Ridge National Laboratory
10:00 AM
OE02
Measuring the Electronic Structure of Alloy Materials and Relating it to their Catalytic Performance
Eranda Nikolla, University of Michigan; Suljo Linic, University of Michigan
10:20 AM
OE03
First-Principles Studies of Surface Oxide Formation on Pt Electrodes
Liang Qi, University of Pennsylvania; Ju Li, University of Pennsylvania
10:40 AM
OE04
Theoretical and Experimental Studies of Ammonia Decomposition for Hydrogen Production
Danielle A. Hansgen, University of Delaware; Jingguang G. Chen, University of Delaware; Dionisios G. Vlachos, University of Delaware
11:00 AM
OE05
Catalytic Ethanol Decomposition:  a Case Study in Reducing Brute-Force DFT Work for Surface Reactivity by Combining BEP and Scaling Relations
Peter A. Ferrin, University of Wisconsin-Madison; Dante A. Simonetti, University of Wisconsin-Madison; Shampa Kandoi, University of Wisconsin-Madison; James A. Dumesic, University of Wisconsin Madison; Jens K. Nørskov, Technical University of Denmark; Manos Mavrikakis, University of Wisconsin Madison
11:20 AM
OE06
Mechanistic Studies of the Synthesis and Decomposition of Ethanol on Rh Catalysts
YongMan Choi, Brookhaven National Laboratory; Ping Liu, Brookhaven National Laboratory
11:40 AM
OE07
Oxidative Dehydrogenation of Propane on Small Pt Clusters:  A Density Functional Study
Larry A. Curtiss, Argonne National Laboratory; Jeff Greeley, Argonne National Laboratory; Paul C. Redfern, Argonne National Laboratory; Peter Zapol, Argonne National Laboratory; Faisal Mehmood, Argonne National Laboratory; Stefan Vajda, Argonne National Laboratory
See more of: Fundamentals of Catalysis
See more of: 21st NAM
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