Computational Catalysis III: Oxides and Oxide-Supported Transition Metals | AIChE

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Computational Catalysis III: Oxides and Oxide-Supported Transition Metals

Co-chair(s)

Kitchin, J. R., Carnegie Mellon University

This is continuation of Computational Catalysis II

Presentations

3:15 PM
(139a) Environmental Effects On Reactivity at the RuO2(110) Surface
3:36 PM
(139b) Theoretical Investigation of the Water-Gas Shift Reaction at the Three-Phase Boundary of TiO2 Supported Metal Clusters
3:57 PM
(139c) QUANTUM MODELING of H2 and H2 O CHEMISTRY ON Pt/α-Al2O3
4:18 PM
(139d) Theoretical Study of Propane Activation Over Cluster Models of the Surface Ab Planes of Mo-V-Te-Nb-O M1 Phase
4:39 PM
(139e) Investigation of the Catalytically Active Site in Oxidation Catalysis by Gold: Insights From First Principles
5:00 PM
(139f) Charging of Metal Oxide Supported Au Clusters and Its Effect On the CO Oxidation Reaction
5:21 PM
(139g) Kinetic Monte Carlo Simulation for NO Oxidation Over (√5x√5)R27° Pdo(101)

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