Analytical Measurements to Elucidate Structural Behavior of 2,5-Dimethoxy-1,4-benzoquinone During Charge and Discharge.

Organic compounds as electrode materials can contribute to sustainability because they are nontoxic and environmentally abundant. The working mechanism during charge-discharge for reported organic compounds as electrode materials is yet to be completely understood. In this study, the structural behavior of 2,5-dimethoxy-1,4-benzoquinone (DMBQ) during charge-discharge is investigated by using NMR spectroscopy, energy-dispersive X-ray spectroscopy, magnetic measurements, operando Raman spectroscopy, and operando X-ray diffraction. For both lithium and sodium systems, DMBQ works as a cathode accompanied with the insertion and deinsertion of Li and Na ions during charge-discharge processes. The DMBQ sample is found to be in two-phase coexistence state at the higher voltage plateau, and the radical monoanion and dianion phases have no long-distance ordering. These structures reversibly change into the original neutral phase with long-distance ordering. These techniques can show the charge-discharge mechanism and the factors that determine the deterioration of organic batteries, thus guiding the design of future high-performance organic batteries.