Unveiling Potential of Gallium Ferrite (GaFeO) as an Anode Material for Lithium-Ion Batteries.

Lithium-ion batteries (LIBs) serve as the backbone of modern technologies with ongoing efforts to enhance their performance and sustainability driving the exploration of new electrode materials. This study introduces a new type of alloy-conversion-based gallium ferrite (GFO: GaFeO) as a potential anode material for Li-ion battery applications. The GFO was synthesized by a one-step mechanochemistry-assisted solid-state method. The powder X-ray diffraction analysis confirms the presence of an orthorhombic phase with the 2 space group. The photoelectron spectroscopy studies reveal the presence of Ga and Fe oxidation states of gallium and iron atoms in the GFO structure. The GFO was evaluated as an anode material for Li-ion battery applications, displaying a high discharge capacity of ∼887 mA h g and retaining a stable capacity of ∼200 mA h g over 450 cycles, with a Coulombic efficiency of 99.6 % at a current density of 100 mA g. Cyclic voltammetry studies confirm an alloy-conversion-based reaction mechanism in the GFO anode. Furthermore, density functional theory studies reveal the reaction mechanism during cycling and Li-ion diffusion pathways in the GFO anode. These results strongly suggest that the GFO could be an alternative anode material in LIBs.