OC70 Theoretical Study of Pt-CaTiO3, a Strongly Interacting Automotive Three-Way Catalyst System

Friday, June 10, 2011: 8:40 AM
Cartier Ballroom (Detroit Marriott Hotel at the Renaissance Center )
Baihai Li Sr.1, Michael B. Katz1, Anton Van der Ven1, Liang Chen2, George W. Graham1 and Xiaoqing Pan1, (1)Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI, (2)Institute of Material Technology&Enginerring, Chinese Academy of Sciences, Ningbo, China
Our first-principles phase diagram results demonstrate that Pt can, indeed, exist in various compounds with CaTiO3 under oxidative and reductive conditions, consistent with the Daihatsu proposal.

Extended Abstracts: