Fused Functional Organic Material with the Alternating Conjugation of Quinone–Pyrazine as Cathode for Aqueous Zinc Ion Batteries

Abstract Organic cathode materials for aqueous rechargeable zinc batteries (ARZBs) are rapidly gaining prominence, while the exploration of compounds with affordable synthesis, satisfactory electrochemical performance, and understandable mechanisms still remains challenging. In this study, 6,8,15,17‐tetraaza‐heptacene‐5,7,9,14,16,18‐hexaone (TAHQ) as an easily synthesized organic cathode material with novel quinone/pyrazine alternately conjugated molecule structure is presented. This organic electrode exhibits good capacity with highly reversible redox reactions, and the influence of multi‐active structures on the Zn 2+ /H + loading behavior is systematically investigated by ex situ spectroscopy, electrochemical tests, and computation. Both experimental and theoretical studies effectively address the Zn 2+ /H + intercalation/deintercalation kinetics. Benefitting from the fused active functionalities, the assembled Zn//TAHQ battery displays a maximum discharge specific capacity of 254.3 mAh g −1 at 0.5 A g −1 , and it maintains remarkable cycle performance with 71% capacity retention after 1000 cycles under 5 A g −1 .