Transition metal dichalcogenides (TMDs) have demonstrated significant potential as an advanced energy storage technology, particularly in the development of rechargeable batteries. They are desirable for use as an anode material due to their unique two-dimensional layered structure, high surface area, and tunable electronic properties. This review aims to provide a brief overview of the experimental and computational studies, including crystal structures, intrinsic properties, preparation techniques, and doping strategies. Noble TMDs and composite designs receive particular attention since they help in overcoming issues like low conductivity, volume expansion, and structural degradation during cycling. The mechanism of ion storage, phase stability, and diffusion kinetics are highlighted by contrasting recent developments in computational modelling with experimental results. This review highlights key challenges and future possibilities for developing TMD-based anodes with increased capacity, extended cycle life, and high energy density for sustainable energy storage technologies.