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)