245 Computational Catalysis III: Reaction Environment and Coverage Effects

Tuesday, November 18, 2014: 8:30 AM
307 (Hilton Atlanta)
Description:
Computational Catalysis III: Reaction Environment and Coverage Effects

Sponsor:
Catalysis and Reaction Engineering Division

Chair:
Phillip Christopher
Email: christopher@engr.ucr.edu

Co-Chair:
Michail Stamatakis
Email: m.stamatakis@ucl.ac.uk


8:30 AM
(245a) Estimating Bulk Composition Dependent H2 Dissociative Adsorption Energies on CuxPd1-X Alloy (111) Surfaces
Jacob R. Boes and John R. Kitchin

8:50 AM
(245b) Computational Study of Dehydrogenation of Light Alkanes over Pt and Pt/Sn Alloys
Alec Hook, Jacob D. Massa and Fuat E. Celik

9:10 AM
(245c) Understanding Nobel Metal Sulfation Using First Principles Computations
Hom Sharma, Vinit Sharma and Ramamurthy Ramprasad

9:30 AM
(245d) Massive Restructuring of Cobalt Catalysts Under Fischer Tropsch Conditions: Driving Force and Mechanistic Consequences
Arghya Banerjee and Mark Saeys

9:50 AM
(245e) A First-Principles Study on the Catalytic Roles of Co0 and Co2+ in Ethanol Steam Reforming
Wenjia Luo and Aravind Asthagiri

10:10 AM
(245f) Coverage-Dependent Site and Adsorbate Configurational Correlations on (111) Surfaces of Late Transition Metals
Zhongnan Xu and John R. Kitchin

10:30 AM
(245g) Ethanol from Syngas, an Alternative Route to Produce Alternative Fuel
Anuradha Gundamaraju
See more of this Group/Topical: Catalysis and Reaction Engineering Division
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