3,6-Diphenyltetrazine as Cathode Active Material for Sodium Ion Batteries (Supporting Information)

3,6-diphenyltetrazine (DPT) is an electron-deficient π-conjugated molecule with a perfectly planar structure and high crystallinity. In this study, discharge-charge tests of crystalline DPT as a cathode material for sodium ion batteries were conducted. DPT showed an initial reversible capacity of 102 mAh/g (theoretical capacity 114 mAh/g), corresponding to one electron reaction. The plateau of the discharge-charge profiles was observed at 1.9–2.1 V vs. Na/Na⁺. According to the ex-situ XRD, FT-IR, and XPS measurements to investigate the discharge-charge mechanism, the redox center was identified as the conjugated tetrazine ring. DPT was in a crystalline form in both the charged and discharged state and indicated the potential as a reversible Na ion host.