Thermodynamic Stability of La_(0.6)Sr_(0.4)Co_(0.2)Fe_(0.8)O_(3-δ) in Carbon Dioxide Impurity: A Comprehensive Experimental and Computational Assessment

摘要

The thermodynamic stability of strontium doped lanthanum cobalt iron oxide has been examined using computational approach under solid oxide fuel cell device operating conditions. Reaction phase equilibria have been computed for ambient conditions and for enhanced carbon dioxide in the cathode gas. Such a computational approach which takes into account materials stability a priori in addition to performance metrics such as oxygen reduction kinetics can be very useful in designing materials with long term performance stability for high temperature solid state ionic devices such as fuel cells and electrolyzers.