Influence of Metal-Oxide Interface on Water-Gas Shift Intermediates

Mehta, Prateek

Tuesday, June 16, 2015

Ballroom B (Lawrence Convention Center)

Prateek Mehta¹, Houyu Zhu¹, Fabio H. Ribeiro², Jeffrey Greeley², W. Nicholas Delgass² and William F. Schneider¹, (1)University of Notre Dame, USA, (2)Purdue University, USA.

We present a computational investigation of water gas shift intermediates on nanorods of several metals supported on α-Al₂O₃. Our study shows that the interface presents “dual” sites that differ from the isolated metal and support. It also alters energetics of intermediates at the boundary through metal-support electronic communication.

Extended Abstracts:

141103a-NAM-pmehta1.pdf (147.7KB) - Extended Abstract

P-Tu-B-135 Influence of Metal-Oxide Interface on Water-Gas Shift Intermediates