“…Nowadays, Li-ion batteries (LIBs) are receiving increasing attention in a wide range of applications from portable electronics to transportation (such as hybrid electric vehicles and pure electric vehicles) for their advantages in efficiency, no memory effect, environmental benignity, and so forth. − Although several breakthroughs have been made in the last decades, the reversible specific capacities of commercial cathode materials (e.g., LiCoO 2 , LiFePO 4 ) are still too low to satisfy the ever-growing demands for advanced LIBs with high energy/power density. , Fortunately, transition-metal fluorides on the basis of the conversion reaction have triggered worldwide interest as alternative cathode materials for LIB application because of their relatively high voltage plateau and large theoretical capacities. , For instance, CuF 2 has a working potential of 3.55 V and a theoretical capacity of 528 mA h g –1 , , FeF 3 (2.74 V, 712 mA h g –1 ), , FeF 2 (2.66 V, 571 mA h g –1 ), , and so forth. Among fluoride-based cathodes, iron trifluoride, appears to be unique as a potential candidate cathode owing to its high theoretical capacity, high operating voltage, environmental friendliness, and low cost. , As a polymorph of iron fluoride, FeF 3 ·0.33H 2 O has a unique hexagonal cavity composed of six octahedrons by corner-sharing, where H 2 O molecules exist in the center of cavities, which are suitable for intercalation and deintercalation of Li-ions. In addition, the existence of crystal water can stabilize the structure and decrease the band gap as well as enhance the electronic conductivity.…”