Highly Crystalline Contorted Coronene Homologous Molecule as Superior Organic Anode Material for Full-Cell Li-Ion Batteries

Abstract

Organic anode materials have garnered attention for use in rechargeable Li-ion batteries (LIBs) owing to their lightweight, cost-effectiveness, and tunable properties. However, challenges such as high electrolyte solubility and limited conductivity, restrict their use in full-cell LIBs. Here, we report the use of highly crystalline Cl-substituted contorted hexabenzocoronene (Cl-cHBC) as an efficient organic anode for full-cell LIBs. By employing an antisolvent crystallization method, the crystallinity of the Cl-cHBC materials has been significantly enhanced, achieving superior electrochemical performance in a half-cell configuration. Furthermore, when incorporated with the conventional lithium iron phosphate (LFP) cathode, the Cl-cHBC||LFP full-cell delivers a high discharge cell voltage of 3.0 V, surpassing the voltages of conventional lithium-titanium oxide anodes and offering improved power densities. In addition, a full cell with high-voltage lithium cobalt oxide and single-crystal high-nickel-based cathodes demonstrates enhanced electrochemical characteristics, including elevated discharge voltages, stable C-rate performance, and cycle endurance. Thus, the proposed highly crystalline Cl-cHBC anode is a promising next-generation solution for LIB applications.