Catalysis on metal oxides

Wednesday, June 17, 2015: 3:40 PM-5:20 PM
408-410 (Lawrence Convention Center)
Aleksandra Vojvodic, Stanford University, USA.
3:40 PM
Understanding the Impact of Lewis Acidity of Oxide Surfaces on Adsorption, Dehydration, and Etherification
Glen Jenness1, Stavros Caratzoulas2, Raymond J. Gorte3 and Dionisios G. Vlachos2, (1)Catalysis Center for Energy Innovation (CCEI), USA, (2)University of Delaware, USA, (3)University of Pennsylvania, USA.
4:00 PM
A DFT Study of Partial Oxidation of Methanol on MoO3 (010) and Crystal Shear Planes
Tej Choksi and Jeffrey Greeley, Purdue University, USA.
4:20 PM
A Linear Response, DFT+U Study of Trends in the Oxygen Evolution Activity of Transition Metal Rutile Dioxides
Zhongnan Xu1, Jan Rossmeisl2 and John R. Kitchin1, (1)Carnegie Mellon University, USA, (2)Technical University of Denmark, Denmark.
4:40 PM
Density Functional Theory Study of Hydrodeoxygenation of Phenolics over Ru/TiO2
Byeongjin Baek and Lars C. Grabow, University of Houston, USA.
5:00 PM
Mechanistic Insights into Catalytic Deoxygenation Aldol Condensation and Esterification over Metal Oxides
Wenjie Tang1, Erin Fitzharris1, Enrique Iglesia2 and Matthew Neurock3, (1)University of Virginia, USA, (2)University of California Berkeley, USA, (3)University of Minnesota, USA.
See more of: Catalyst Modelling and Simulation
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