High-throughput oxygen chemical potential engineering of perovskite oxides for chemical looping applications
Xijun Wang, Yunfei Gao, Emily Krzystowczyk, Sherafghan Iftikhar, Jian Dou, Runxia Cai, Haiying Wang, Chongyan Ruan, Sheng Ye, Fanxing Li
Abstract
Integrating DFT, machine learning and experimental verifications, a high-throughput screening scheme is performed to rationally engineer the redox properties of SrFeO 3− δ based perovskites for chemical looping applications.
Topics & Concepts
Chemical looping combustionThroughputPerovskite (structure)OxygenMaterials scienceRedoxChemical engineeringChemical reactionNanotechnologyComputer scienceChemistryEngineeringMetallurgyTelecommunicationsOrganic chemistryWirelessBiochemistryElectronic and Structural Properties of OxidesAdvancements in Solid Oxide Fuel CellsCatalysis and Oxidation Reactions