We have calculated the electrical conductivity of the solid oxide fuel cell (SOFC) cathode contact material La1-xSrxCoO3-δ at 900 K. Experimental trends in conductivity against x, and against δ for fixed x, are correctly reproduced for x ≲ 0.8. Furthermore, we have studied the chemistry of neutral and charged intrinsic and extrinsic defects (dopants) in La0.5Sr0.5CoO3 and have calculated the conductivity of the doped systems. In particular, we find that doping with Sm on the La site should enhance the conductivity, a prediction that is subsequently confirmed by electrical conductivity measurements.
Björketun, M., Castelli, I. E., Rossmeisl, J., Olsen, T., Ukai, K., Kato, M., Dennler, G., & Jacobsen, K. W. (2017). Defect Chemistry and Electrical Conductivity of Sm-Doped La1-xSrxCoO3-δ for Solid Oxide Fuel Cells. The Journal of Physical Chemistry Part C, 121(28), 15017-15027. https://doi.org/10.1021/acs.jpcc.7b02608