Unveiling Potential\nof Gallium Ferrite (GaFeO<sub>3</sub>) as an Anode Material for Lithium-Ion\nBatteries

Lithium-ion batteries (LIBs) serve as the backbone of\nmodern technologies\nwith ongoing efforts to enhance their performance and sustainability\ndriving the exploration of new electrode materials. This study introduces\na new type of alloy-conversion-based gallium ferrite (GFO: GaFeO<sub>3</sub>) as a potential anode material for Li-ion battery applications.\nThe GFO was synthesized by a one-step mechanochemistry-assisted solid-state\nmethod. The powder X-ray diffraction analysis confirms the presence\nof an orthorhombic phase with the <i>Pc</i>2<sub>1</sub><i>n</i> space group. The photoelectron spectroscopy studies\nreveal the presence of Ga<sup>3+</sup> and Fe<sup>3+</sup> oxidation\nstates of gallium and iron atoms in the GFO structure. The GFO was\nevaluated as an anode material for Li-ion battery applications, displaying\na high discharge capacity of ∼887 mA h g<sup>–1</sup> and retaining a stable capacity of ∼200 mA h g<sup>–1</sup> over 450 cycles, with a Coulombic efficiency of 99.6 % at a current\ndensity of 100 mA g<sup>–1</sup>. Cyclic voltammetry studies\nconfirm an alloy-conversion-based reaction mechanism in the GFO anode.\nFurthermore, density functional theory studies reveal the reaction\nmechanism during cycling and Li-ion diffusion pathways in the GFO\nanode. These results strongly suggest that the GFO could be an alternative\nanode material in LIBs.