A Cobalt-Free Li(Li Ni Fe Mn )O Cathode with More Oxygen-Involving Charge Compensation for Lithium-Ion Batteries.

High-energy-density and low-cost lithium-ion batteries are sought to meet increasing demand for portable electronics. In this study, a cobalt-free Li(Li Ni Fe Mn )O (LNFMO) cathode material is chosen, owing to the reversible anionic redox couple O /O . The aim is to elucidate the Fe-substitution function and oxygen redox mechanism of experimentally synthesized Li(Li Ni Fe Mn )O by DFT.

A Cobalt-Free Li(Li Ni Fe Mn )O Cathode for Lithium-Ion Batteries with Anionic Redox Reactions.

Lithium-rich, Mn-based layered oxides Li MnO -LiMO (M=Ni, Co) have been considered as promising cathode candidates owing to their high capacity. However, the resources shortage and high price of cobalt make it imperious to substitute cobalt with other high-abundance elements. Here, we synthesized a low-cost, cobalt-free, Fe-substituted oxide material, Li(Li Ni Fe Mn )O .