The optimal co-doping of SrFe<sub>1−x</sub>Co<sub>x</sub>O<sub>3−δ</sub> oxygen carriers in redox applications
Ting Jia, Eric J. Popczun, Jonathan W. Lekse, Yuhua Duan
Abstract
Density functional theory calculations were performed to investigate a range of SrFe<sub>1−x</sub>Co<sub>x</sub>O<sub>3−δ</sub> materials both thermodynamically and kinetically. Our resultes show that the optimal Co-doping value in SrFe<sub>1−x</sub>Co<sub>x</sub>O<sub>3−δ</sub> is <italic>x</italic> = 0.25.
Topics & Concepts
RedoxDopingOxygenChemistryMaterials scienceInorganic chemistryOptoelectronicsOrganic chemistryElectronic and Structural Properties of OxidesElectrocatalysts for Energy ConversionCatalytic Processes in Materials Science