Unveiling Potential of Gallium Ferrite (GaFeO₃) 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: GaFeO₃) 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 <i>Pc</i>2₁ <i>n</i> space group. The photoelectron spectroscopy studies reveal the presence of Ga³⁺ and Fe³⁺ 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^-1 and retaining a stable capacity of ∼200 mA h g^-1 over 450 cycles, with a Coulombic efficiency of 99.6 % at a current density of 100 mA g^-1. 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.