Suppression of Sr surface segregation in La(1-x)Sr(x)Co(1-y)Fe(y)O(3-δ): a first principles study.

@article{Ding2013SuppressionOS,
  title={Suppression of Sr surface segregation in La(1-x)Sr(x)Co(1-y)Fe(y)O(3-δ): a first principles study.},
  author={Hepeng Ding and Anil V. Virkar and Meilin Liu and Feng Liu},
  journal={Physical chemistry chemical physics : PCCP},
  year={2013},
  volume={15 2},
  pages={
          489-96
        }
}
Based on systematic first principles calculations, we investigate Sr surface segregation (SSS) in La(1-x)Sr(x)Co(1-y)Fe(y)O(3-δ) (LSCF) (a typical perovskite ABO(3) compound), a bottleneck causing efficiency degradation of solid oxide fuel cells. We identify two basic thermodynamic driving forces for SSS and suggest two possible ways to suppress SSS: applying compressive strain and reducing surface charge. We show that compressive strain can be applied through doping of larger elements and… CONTINUE READING

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