Density Functional Theory Study of Oxygen Sources for Catalytic NO Oxidation on LaCoO<sub>3</sub> Perovskite

Penninger, Michael

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:

12117AbstractNACS_2-wfs_mike2.pdf (83.2KB) - Extended Abstract

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

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