Molecular dynamic study of oxygen ion diffusion and grain boundary in SrSc0.1Co0.9O3-δ perovskite solid oxide membrane

A Theoretical Study of Oxygen Anion Diffusion through the A-Site Deficient SrTiO3 Lattice Structure: A Machine Learning Approach

“…The assessment of SOFC component materials hinges significantly on the oxygen anion diffusion or conductivity. Yttria-stabilized zirconia (YSZ) serves as a conventional electrolyte material for SOFC, boasting reasonably high ionic conductivity ranging from 0.14 to 0.16 S/cm at 1000 °C. , To create a high-performing and stable SOFC system, it is crucial for the cathode and anode components to exhibit compatibility with the electrolyte phase, featuring substantial values of oxygen anion diffusivity. − Perovskite-structured materials, renowned for their distinctive mixed ionic-electronic conductivity, stand out as ideal candidates for electrode materials in SOFCs. , Several theoretical − and experimental , studies have reported utility of perovskite materials as electrode materials in SOFCs. Among these, materials such as LaGaO 3 , LaMnO 3 , LaCoO 3 , CaZrO 3 , SrTiO 3 , BaTiO 3 , and others have been extensively studied for their potential in enhancing the performance of fuel cells by investigating the defect behavior, ion transport dynamics, and surface properties for understanding oxygen ion migration, exploring dopant–defect interactions, deciphering proton diffusion kinetics, and unveiling intricate details of oxide surface structures in these perovskite oxides.…”