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Surface stoichiometry and reactivity of La1-xSrxCoyFe1-yO3 surface from First-Principles Calculations


EMSL Project ID
34931

Abstract

The objective of the proposed work is to investigate the surface of mixed conducting solid oxide fuel cell (SOFC) cathodes. In detail, the effect of the dopants on oxygen stoichiometry of
LaFeO3 (LFO) (010) surface will be studied. This includes study of distribution trends of dopants on LFO surface and the effect of the dopants on defect formation energy (DFE) of oxygen vacancies.
In addition, the effect of the Sr and Co dopants on surface reaction and bulk transport of oxygen molecules/ions will be quantitatively studied by determining activation energy barriers for various reaction paths. This includes the investigation of the effect of surface oxygen stoichiometry on the reactivity of oxygen molecules/ions on La1-xSrxCoyFe1-yO3 (LSCF) as well as LFO surfaces.

Project Details

Project type
Large-Scale EMSL Research
Start Date
2009-10-01
End Date
2011-09-30
Status
Closed

Team

Principal Investigator

Susan Sinnott
Institution
University of Florida

Team Members

Chan-Woo Lee
Institution
University of Pennsylvania