2009 Annual Meeting

Session: Computational Catalysis II: Transition Metals

Co-Chair

Andreas Heyden, University of South Carolina

Presentations

12:30 PM

(85a) Dehydrogenation, Hydrogenolysis and Oxidation of Ethane On Pt: Density Functional Theory Study and Microkinetic Analysis
Ying Chen, Michael Salciccioli

12:50 PM

(85b) Oxidation Properties of Pt-Ni Surface Alloys
Aslihan Sumer, Elif Ercan, A. Erhan Aksoylu

01:10 PM

(85c) Adsorption and Activation of Methyl Acetate On Pd Surfaces
Lijun Xu

01:30 PM

(85d) Theoretical Insights Into the Catalytic Oxidation of Methane Over Pt and Rh Surfaces
Corneliu Buda, Ya-Huei (Cathy) Chin, Enrique Iglesia, Matthew Neurock

01:50 PM

(85e) DFT Characterization of H2O2 Selective Synthesis On Transition Metal Catalysts
Rees B. Rankin, Jeff Greeley

02:10 PM

(85f) Steam Methane Reforming Over Ni and Ni/Ag Catalysts − Gaining Mechanistic Insight through DFT and Experiment
D. Wayne Blaylock, De Chen, Hongmin Wang, Anh Dam

02:30 PM

(85g) Thermodynamics of Dimethyl Ether Decomposition
Jeffrey A. Herron, Peter Ferrin, Manos Mavrikakis