Theoretical Investigation of H Oxidation on the SrFeMoO (001) Perovskite Surface under Anodic Solid Oxide Fuel Ceil Conditions.

Periodic density functional theory (DFT) calculations and microkinetic modeling are used to investigate the electrochemical oxidation of H fuel on the (001) surface of SrFeiMoO (SFMO) perovskite under anodic solid oxide fuel cell conditions. Three surface models with different Fe/Mo ratios in the to...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 136; no. 23; pp. 8374 - 8387
Main Authors:	Suthirakun, Suwit, Ammal, Salai Cheettu, Muñoz-Garía, Ana B., Xiao, Guoliang, Chen, Fanglin, Zur Loye, Hans-Conrad, Carter, Emily A., Heyden, Andreas
Format:	Article
Published:	American Chemical Society 6/11/2014
Subjects:	Hydrogen oxidation Density functional theory Perovskite Anodic oxidation of metals Electrolytic oxidation
Online Access:	View this record in EBSCOhost