Self?Catalyzed Rechargeable Lithium?Air Battery by in situ Metal Ion Doping of Discharge Products: A Combined Theoretical and Experimental Study

Lithium-air battery has emerged as a viable electrochemical energy technology; yet substantial overpotential is typically observed, due to the insulating nature of discharge product Li2O2 that hinders reaction kinetics and device performance. Furthermore, finite solid–solid/–liquid interfaces are formed between catalysts limit activity electrocatalysts in reactions, leading inadequate electrolytic efficiency. Herein, in-situ doping by select metal ions found significantly enhance lithium-air performance, Co2+ stands out most effective dopant among series. This ascribed unique catalytic resulting Co-Ox sites towards oxygen electrocatalysis, rendering self-catalytically active. Theoretical studies based on density functional theory calculations show structural compression occurs upon doping, which lowers barrier decomposition. Results from this study highlight significance situ enhancing performance battery.