Reactive Oxygen Species Resistive Redox Mediator in Lithium–Oxygen Batteries

• DOI: 10.1002/adma.202415805
• Publication Date: 2025-01-03T08:01:05Z
• Authors: Hyun‐Wook Lee; Jiwon Hwang; Ja‐Yeong Kim; Gabriel N. Morais; Katie S. Tang; Myungsoo Choi; Haeun Choi; Hong‐Bin Youn; Seoung‐Tae Kim; Jee Ho Ha; Seok Ju Kang; Shuming Chen; Sung‐Eun Suh; Won‐Jin Kwak
• Keywords: Rational design; Moiety

Abstract The utilization of redox mediators (RMs) in lithium–oxygen batteries (LOBs) has underscored their utility high overpotential during the charging process. Among currently known RMs, it is exceptionally challenging to identify those with a potential capable attenuating singlet oxygen ( 1 O 2 ) generation while resisting degradation by reactive species (ROS), such as and superoxide (O •− ). In this context, computational experimental approaches for rational molecular design have led development 7,7′‐bi‐7‐azabicyclo[2.2.1]heptane (BAC), newly suggested RM incorporating N–N interconnected aza‐bicycles. BAC harnesses advantages falling within range that suppresses generation, previously reported embedded non‐bicyclic effectively defends against ROS‐induced due incorporation novel bicyclic moiety. Unlike which exhibit reduced evolution after exposure , maintains consistent profiles charging, indicating its superior resistance steady redox‐catalyst performance LOBs. This study introduces precise strategy low‐molecular‐weight marking significant step forward advancing LOB improving efficiency, stability, practical applicability.