Achieving Safe and Stable Lithium-Based Batteries via Molecular Dipole Interactions

Abstract

The lithium metal battery technology, utilizing a lithium metal anode and high-voltage cathodes, offers high power density, but faces challenges such as dendrite growth, dead lithium, and poor interfacial dynamics. Here, a nonflammable electrolyte is proposed based on dipole interactions between HTFP and DME solvents, enhancing Li⁺-FSI^– coordination and reducing Li⁺ desolvation energy. The dipole interaction lowers the LUMO energy of solvated FSI^–, promoting the formation of a stable interfacial phase and efficient lithium deposition and stripping. Consequently, Li||NCM811 cells exhibit ∼90% capacity retention over 500 cycles with >99.5% Coulombic efficiency and also perform well at −30 °C. In addition, commercial graphite||NCM523 pouch cells achieve 90% capacity retention after 500 cycles and high safety.