Ab initio defect energetics of perovskite (001) surfaces for solid oxide fuel cells: A comparative study of LaMnO[subscript 3] versus SrTiO[subscript 3] and LaAlO[subscript 3]

Ab initio defect energetics of perovskite (001) surfaces for solid oxide fuel cells: A comparative study of LaMnO[subscript 3] versus SrTiO[subscript 3] and LaAlO[subscript 3]

In this paper, we perform a comparative study based on ab initio modeling for perovskite ABO[subscript 3] (001) surfaces and surface defect energetics in order to understand the influence of polarity and redox active Mn in the LaMnO[subscript 3] system. We consider LaMnO[subscript 3],LaAlO[subscript...

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Bibliographic Details
Main Authors: Lee, Yueh-Lin (Contributor), Morgan, Dane (Author)
Other Authors: Massachusetts Institute of Technology. Department of Mechanical Engineering (Contributor), Massachusetts Institute of Technology. Electrochemical Energy Laboratory (Contributor), Massachusetts Institute of Technology. Research Laboratory of Electronics (Contributor)
Format: Article
Language:English
Published: American Physical Society, 2015-05-29T18:15:08Z.
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