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

• Published in: Journal of electroanalytical chemistry (Lausanne, Switzerland) Vol. 889; p. 115234
• Main Authors: Baymuratova, Guzaliya R., Khatmullina, Kyunsylu G., Yakuschenko, Igor K., Tulibaeva, Galiya Z., Savinykh, Tatiana A., Troshin, Pavel A., Shestakov, Alexander F., Yarmolenko, Olga V.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 15-05-2021; Elsevier Science Ltd
• Subjects: Benzo-15-crown-5; Condensates; Condensation polymerization; Discharge; Electrode materials; Electrodes; Electrolytes; High-capacity organic cathode material; Lithium- ion batteries; Modelling; Organic carbonyl compound; Quantum chemical DFT modeling; Quantum chemistry; Rechargeable batteries; Lithium- ion batteries; Organic carbonyl compound; Benzo-15-crown-5; High-capacity organic cathode material; Quantum chemical DFT modeling
• ISSN: 1572-6657; 1873-2569
• DOI: 10.1016/j.jelechem.2021.115234

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•Promising organic redox-active material PTTA was designed.•Benzo-15-crown-5 was proposed as the additive to electrolyte in Li//PTTA cells.•Benzo-15-crown-5 additive increases the discharge capacity of PTTA//Li half-cells up to 344 mAh g−1.•The mechanism for one-, two-, and three-electron redox processes of PTTA metallation was suggested.
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 mAhg−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.