P-Tu-BRC-49 Density Functional Theory Study of Oxygen Sources for Catalytic NO Oxidation on LaCoO3 Perovskite

Tuesday, June 4, 2013
Ballroom C (Galt House Hotel)
Michael Penninger, University of Notre Dame, USA.
Using density functional theory we investigate oxygen sources for NO oxidation on potential undioed and Sr doped LaCoO3 perovskite catalysts.  We find that lattice oxygen are too strongly bond to be react and that adatom oxygen will be the dominant NO oxidation source.

Extended Abstracts: