Insight in the degradation of polyquinone-based cathode material in lithium-organic battery under cycling

Electrochemical lithiation of organic polyquinone-based cathode material can occur irreversibly leading thus to a rapid deterioration of the battery performance. Carefully controlled degree of lithium intercalation within the defined charge/ discharge potential window provides a stable battery operation within 170 cycles with 100% coulombic efficiency. DFT calculations revealed that deep lithiation results in a strong conformational reorganization of the polymer domains leading to repeatable expansion and shrinkage of the electroactive material and a rapid loss of the cathode integrity.