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Computational Catalysis III: Oxides and Oxide-Supported Transition Metals


Description:
This is continuation of Computational Catalysis II

Sponsor:
Catalysis and Reaction Engineering Division


Chair:
Randall J. Meyer
University of Illinois - Chicago
Department of Chemical Engineering
810 S. Clinton
Chicago, IL 60607
Phone Number: (312) 996-4607
Fax Number: (312) 996-0808
Email: rjm@uic.edu

Co-Chair:
John R. Kitchin

Papers:
139a
Environmental Effects On Reactivity at the RuO2(110) Surface
Hangyao Wang, University of Notre Dame; William F. Schneider, University of Notre Dame
139b
Theoretical Investigation of the Water-Gas Shift Reaction at the Three-Phase Boundary of TiO2 Supported Metal Clusters
Salai C. Ammal, University of South Carolina; Andreas Heyden, University of South Carolina
139c
QUANTUM MODELING of H2 and H2 O CHEMISTRY ON Pt/α-Al2O3
Jennifer Synowczynski, U.S. Army Research Laboratory; Jan Andzelm, U. S. Army Research Laboratory; Dion Vlachos, University of Delaware
139d
Theoretical Study of Propane Activation Over Cluster Models of the Surface Ab Planes of Mo-V-Te-Nb-O M1 Phase
Agalya Govindasamy, University of Cincinnati; Ye Xu, Oak Ridge National Laboratory; Junjun Yu, University of Cincinnati; Vadim V. Guliants, University of Cincinnati
139e
Investigation of the Catalytically Active Site in Oxidation Catalysis by Gold: Insights From First Principles
Siris Laursen, University of Michigan; Suljo Linic, The University of Michigan
139f
Charging of Metal Oxide Supported Au Clusters and Its Effect On the CO Oxidation Reaction
Giannis Mpourmpakis, University of Delaware; Dionisios G. Vlachos, University of Delaware
139g
Kinetic Monte Carlo Simulation for NO Oxidation Over (√5x√5)R27° Pdo(101)
Jelena Jelic, University of Illinois at Chicago; Karsten Reuter, Fritz-Haber-Institut der Max-Planck-Gesellschaft; Randall J. Meyer, University of Illinois - Chicago
See more of this Group/Topical: Catalysis and Reaction Engineering Division
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