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 ofLaFeO3 (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
Released Data Link
Team
Principal Investigator
Team Members