Investigation of chemical compatibility between B-site doped La substituted SrTiO3 anode and stabilized zirconia electrolyte

High temperature annealing test results indicate that B site dopant of LST and corresponding doping concentration have strong impact on the inter-diffusion behaviors at A-site deficient LST and ScSZ interface, which provides solid evidence for the improvement of the long term stability of LST anode. First principle calculation results indicate that B site doping of Al, Ga and Sc can enhance the neighboring TiO bonding which increases the VFE of Ti in LST that stabilizes the material and blocks the ion diffusion path at the same time. To minimize B site cation vacancy concentration, a threshold doping concentration exists at which the resulting VFE of Ti can overwhelm that of Sc which effectively suppresses the Sc/Ti ion exchange at the LST/ScSZ interface. But introduction of the B-site dopant may deteriorate the stability due to the lower VFE of dopant itself which becomes new source of instability at high doping concentration. Appropriate doping to balance the improvement and drawback of the dopant is the key for the overall stability of the material.