Journal
SOLID STATE IONICS
Volume 188, Issue 1, Pages 1-5Publisher
ELSEVIER
DOI: 10.1016/j.ssi.2010.10.011
Keywords
Solid oxide fuel cell SOFC; Oxygen permeation; Oxygen diffusion; Ionic conductivity; Density of states (DOS); Defect model
Categories
Funding
- European Union [228701]
- NSF
- The National Center for Supercomputing Applications (NCSA) [TG-DMR100021]
- Office of the Director of NSF
- Div Of Civil, Mechanical, & Manufact Inn
- Directorate For Engineering [1132451] Funding Source: National Science Foundation
Ask authors/readers for more resources
First-principles supercell calculations of oxygen vacancies in the Ba0.5Sr0.5Co1-yFeyO3-delta (BSCF) perovskites are presented. The density of states is determined for different iron content and oxygen vacancy concentrations, and the characteristic differences for Co and Fe are discussed. We analyze the dependences of the defect (oxygen vacancy) formation and migration energies on the Fe content and compare the calculated properties with those of related LaCoO3 and LaFeO3 perovskites. (C) 2010 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available
Share Paper
