Tailoring Lithium-Ion Storage in Li ₄ WO ₅ through Molybdenum Substitution at Tungsten Sites ( <i>x</i> = 0.1, 0.2): Enhanced Electrochemical Performance of a Novel Anode Material

Conversion-type anode materials show significant potential for advancing next-generation lithium-ion batteries (LIBs). This study involved the synthesis and comprehensive investigation of Li4WO5 and molybdenum-substituted Li4W1–xMoxO5 (x = 0.1, 0.2) regarding their electrochemical properties. Raman spectroscopy and X-ray diffraction validated the establishment of orthorhombic crystal formations. Galvanostatic charge–discharge assessments at 0.1 and 0.3 C demonstrated that molybdenum substitution markedly improved both specific capacity and energy density. The Li4W1–xMoxO5 (x = 0.2) sample exhibited the maximum discharge capacity of 415.16 mAh g–1 and an energy density of 232.48 Wh kg–1 at a rate of 0.1 C. Cyclic voltammetry demonstrated enhanced Li+ transport, with diffusion coefficients aligning with GITT findings. Ex situ SEM study further validated that Mo inclusion improves structural integrity and cycle stability. XPS Studies also indicate the presence of all the elements involved in electrochemical reactions. Upon cycling, the Mo-doped Li4WO5 has superior electrochemical performance, indicating significant potential as a high-energy anode material for improved lithium-ion batteries.