Computational exploration of codoped Fe and Ru single-atom catalysts for the oxygen reduction reaction

Computational exploration of codoped Fe and Ru single-atom catalysts for the oxygen reduction reaction Jia, Haojun; Duan, Chenru; Terrones, Gianmarco G; Kevlishvili, Ilia; Kulik, Heather J The oxygen reduction reaction (ORR) is essential in a range of energy conversion and storage technologies, including fuel cells and metal–air batteries. Single-atom catalysts (SACs), characterized by isolated metal atoms especially in doped graphitic substrates, have emerged as promising ORR catalysts due to t