High-throughput oxygen chemical potential engineering of perovskite oxides for chemical looping applications

Authors: Xijun Wang, Yunfei Gao, Emily Krzystowczyk, Sherafghan Iftikhar, Jian Dou, Runxia Cai, Haiying Wang, Chongyan Ruan, Sheng Ye, Fanxing Li

Published: 2022-02-18

DOI: 10.1039/d1ee02889h

Source: Full article


Abstract

Integrating DFT, machine learning and experimental verifications, a high-throughput screening scheme is performed to rationally engineer the redox properties of SrFeO3−δ based perovskites for chemical looping applications.