Organic carbonyl electrode materials that have the advantages of high capacity, low cost and being environmentally friendly, are regarded as powerful candidates for next‐generation stationary and redox flow rechargeable batteries (RFBs). However, low carbonyl utilization, poor electronic conductivity and undesired dissolution in electrolyte are urgent issues to be solved. Here, we summarize a molecular engineering approach for tuning the capacity, working potential, concentration of active species, kinetics, and stability of stationary and redox flow batteries, which well resolves the problems of organic carbonyl electrode materials. As an example, in stationary batteries, 9,10‐anthraquinone (AQ) with two carbonyls delivers a capacity of 257 mAh g⁻¹ (2.27 V vs Li⁺/Li), while increasing the number of carbonyls to four with the formation of 5,7,12,14‐pentacenetetrone results in a higher capacity of 317 mAh g⁻¹ (2.60 V vs Li⁺/Li). In RFBs, AQ, which is less soluble in aqueous electrolyte, reaches 1 M by grafting –SO₃H with the formation of 9,10‐anthraquinone‐2,7‐disulphonic acid, resulting in a power density exceeding 0.6 W cm⁻² with long cycling life. Therefore, through regulating substituent groups, conjugated structures, Coulomb interactions, and the molecular weight, the electrochemical performance of carbonyl electrode materials can be rationally optimized. This review offers fundamental principles and insight into designing advanced carbonyl materials for the electrodes of next‐generation rechargeable batteries.