Theoretical Investigation of H2 and CO Electro-Oxidation on the Sr2Fe1.5Mo0.5O6-d (001) Perovskite Surface Under Anodic Solid Oxide Fuel Cell Conditions

Ammal, Salai Cheettu

Friday, June 19, 2015: 10:20 AM

407 (Lawrence Convention Center)

Salai Cheettu Ammal, Suwit Suthirakun, Eric Walker and Andreas Heyden, University of South Carolina, USA.

The electrochemical oxidation of H₂ and CO on the Sr₂Fe_1.5Mo_0.5O_6-δ perovskite surface has been investigated using DFT+U methods and microkinetic modeling. It is shown that the surface with higher Mo concentration on the gas exposed layer is more active towards both H₂ and CO oxidation while maintaining excellent sulfur tolerance.

Extended Abstracts:

NAM_2015_Abstract-Ammal.pdf (119.5KB) - Extended Abstract

O-F-407-6 Theoretical Investigation of H2 and CO Electro-Oxidation on the Sr2Fe1.5Mo0.5O6-d (001) Perovskite Surface Under Anodic Solid Oxide Fuel Cell Conditions

O-F-407-6 Theoretical Investigation of H₂ and CO Electro-Oxidation on the Sr₂Fe_1.5Mo_0.5O_6-d(001) Perovskite Surface Under Anodic Solid Oxide Fuel Cell Conditions