2005 Annual Meeting

Session: Fundamentals of Surface Reactivity from Ab Initio Modeling

Chair

Suljo Linic, University of Michigan-Ann Arbor

Co-Chair

John Kitchin, Carnegie Mellon University

Presentations

12:30 PM

(356a) Kinetic Modeling of Nitrous Oxide Decomposition on Fe-Zsm-5 Based on Parameters Obtained from a Comprehensive Dft Study
Andreas Heyden, Alexis T. Bell, Frerich J. Keil

12:48 PM

(356b) Nano-Scale Effects in the Reactivity of Pt Clusters toward Co Oxidation

01:06 PM

(356c) Heterogeneous Catalysis by Gold: Dft Investigations of O2 Interactions with Oxide Supported Gold Materials
Suljo Linic, Siris Laursen, Peter Larkowski

01:24 PM

(356d) Promotional Effect of Fe on the Wgs Activity of Pd and Pt Based Catalysts
Shampa Kandoi, Lutz Koerner, Franz Keller, James A. Dumesic, Manos Mavrikakis

01:42 PM

(356e) Insights into the Electrochemical Oxygen Reduction Reaction through Density Functional Theory
Matthew P. Hyman

02:00 PM

(356f) Light Alkane Dehydrogenation Activity for [Gah]2+ Sites Involving Two Framework Aluminum in Ga-Hzsm-5 Catalysts: a Dft Pathway Analysis
Yogesh V. Joshi, Kendall T. Thomson

02:18 PM

(356g) Catalytic Role of Defective Carbon Substrates in the Dissociation of Water
Milen K. Kostov, Erik E. Santiso, Aaron M. George, Marco B. Nardelli, Keith E. Gubbins

02:36 PM

(356h) Theoretical Studies of Oxygen Reduction Intermediates on Pt - Co Alloys
Eduardo J. Lamas