Synthesis and investigation of a new organic electrode material based on condensation product of triquinoyl with 1,2,4,5-tetraaminobenzene

Abstract We report on the synthesis of PTTA that is a product of polymeric condensation of triquinoyl with 1,2,4,5-tetraaminobenzene and on the application of this polymer as the redox-active material for an electrode in lithium-ion batteries. Two electrolytes were selected: 1 M LiPF6 in ethylene carbonate : dimethyl carbonate mixture (1 : 1) and the same electrolyte with the additive of benzo-15-crown-5 (5 wt%). The new organic electrode has a theoretical capacity of 344 mAh g−1 (3e−), and its redox processes have been investigated using CV, charge-discharge cycling, and quantum-chemical modeling. It was shown that added benzo-15-crown-5 allows achieving the theoretical discharge capacity under the same conditions. Quantum chemical DFT modeling provided insights into the mechanistic aspects of PTTA metallation.