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Publications
Proceedings
2012 AIChE Annual Meeting
Catalysis and Reaction Engineering Division
Computational Catalysis III
2012 AIChE Annual Meeting
Session: Computational Catalysis III
Chair
Maria Curet-Arana
, University of Puerto Rico
Presentations
12:30 PM
(267a) Modeling the Electrochemical Double Layer - CO2 Reduction On Pt(111)
Christopher O'Grady, Jens K. Norskov
12:50 PM
(267b) Mechanistic Insights Into the Reduction of Nitric Oxide by Hydrogen On Platinum Catalysts
Manos Mavrikakis
01:10 PM
(267c) Development of Volcano Plots for Selected Reactions in Heterogeneous Catalysis and Electrocatalysis
Rees B. Rankin, Jeff Greeley
01:30 PM
(267d) Ab Initio Studies of Electron-Driven Photo-Reactions On Surfaces of Plasmonic Metal Nanoparticles
Suljo Linic
01:50 PM
(267e) First Principles Modeling of TiO2 Rutile/Anatase Interfaces
N. A. Deskins
02:10 PM
(267f) First-Principles Investigation of H2O Adsorption On Ti-Doped SnO2(110) Surfaces
Antonio Tricoli, Gianluca Santarossa, Angelo Vargas, Alfons Baiker
02:30 PM
(267g) A First-Principles Study of Support Effects On the Adsorption of CO On Pt/SrTiO3 (100)
