Molecular Engineering to Enable High-Voltage Lithium-Ion Battery: From Propylene Carbonate to Trifluoropropylene Carbonate

Molecular engineering of electrolyte structures has led to the successful application of trifluoropropylene carbonate (TFPC), a fluorinated derivative of propylene carbonate (PC), in next-generation high-voltage high-energy lithium-ion cell. In contrast to a PC-based electrolyte which cointercalates in the form of Li+-solvated species into the graphene layer and exfoliates a graphite anode, a TFPC-based electrolyte is highly compatible with a graphite anode at low potential. Additionally, it shows exceptional oxidation stability on the charged cathode surface owing to the presence of the -CF3 group. An all-fluorinated electrolyte, that is, 1.0 M LiPF6 TFPC/2,2,2-trifluoroethyl carbonate (FEMC) (1/1 volume ratio) + FEC additive, was formulated and demonstrated excellent cycling stability in a high-voltage LiNi0.5Mn0.3Co0.2O2/graphite cell cycled between 3.0 and 4.6 V.

Automated summary

The molecular engineering of electrolyte structures has led to the successful application of trifluoropropylene carbonate (TFPC) in high-voltage high-energy lithium-ion cells, demonstrating improved compatibility with graphite anodes and exceptional oxidation stability. The all-fluorinated electrolyte formulation showed excellent cycling stability in a high-voltage LiNi0.5Mn0.3Co0.2O2/graphite cell, indicating potential for next-generation battery technology.