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...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2015
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| Online Access: | http://hdl.handle.net/1721.1/97129 https://orcid.org/0000-0003-2477-6412 |