The realization of a highly developed society with zero-carbon emissions and advanced electrified transportation demands the emergence of batteries delivering superior energy density and charge storage capability. The search of electrochemists to find materials that can outperform Li-ion batteries led to the research on Li-S batteries (LSBs), which are energy-dense, high-capacity energy storage systems. Nonetheless, the widespread development of lithium-sulfur batteries is held back because of some serious concerns. This thesis focuses on developing multifunctional nanostructures as electrode materials to overcome the challenges faced by Li-S batteries (LSBs) and improve the specific capacity. The work introduces a nanostructured graphene-lithium cobalt vanadate-based cathode for LSBs, which delivers excellent capacity with long-term cyclability. Further, studies based on metal sulfide-carbon nanotube-modified separators for LSBs revealed superior electrochemical output with negligible self-discharge. An aqueous processable polymer blend-based cathode binder, which demonstrates better capacity retention and coulombic efficiency over long-term cycling. We envision that this research could provide an effective platform for the emergence of high-performance Li–S batteries.