Redox Potential Tuning of s-Tetrazine by Substitution of Electron-Withdrawing/Donating Groups for Organic Electrode Materials |
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| Authors: | Dong Joo Min Kyunam Lee Hyunji Park Ji Eon Kwon Soo Young Park |
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| Institution: | 1.Lab for Supramolecular Optoelectronic Materials (LSOM), Department of Materials Science and Engineering, Research Institute of Advanced Materials (RIAM), Seoul National University, 1 Gwanak-ro, Gwanak-gu, Seoul 08826, Korea; (D.J.M.); (K.L.); (H.P.);2.Functional Composite Materials Research Center, Institute of Advanced Composite Materials, Korea Institute of Science and Technology (KIST), 92 Chudong-ro, Bongdong-eup, Wanju-gun, Jeonbuk 55324, Korea |
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| Abstract: | Herein, we tune the redox potential of 3,6-diphenyl-1,2,4,5-tetrazine (DPT) by introducing various electron-donating/withdrawing groups (methoxy, t-butyl, H, F, and trifluoromethyl) into its two peripheral benzene rings for use as electrode material in a Li-ion cell. By both the theoretical DFT calculations and the practical cyclic voltammetry (CV) measurements, it is shown that the redox potentials (E1/2) of the 1,2,4,5-tetrazines (s-tetrazines) have a strong correlation with the Hammett constant of the substituents. In Li-ion coin cells, the discharge voltages of the s-tetrazine electrodes are successfully tuned depending on the electron-donating/withdrawing capabilities of the substituents. Furthermore, it is found that the heterogeneous electron transfer rate (k0) of the s-tetrazine molecules and Li-ion diffusivity (DLi) in the s-tetrazine electrodes are much faster than conventional electrode active materials. |
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| Keywords: | s-tetrazine organic electrode Li ion battery potential tuning |
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