Unveiling the Uncharted Potential of 2D Materials in Li/Na–S Batteries: A Paradigm Shift From Graphene

ABSTRACT

Rechargeable metal‐sulfur batteries (MSBs) are promising next‑generation energy storage systems because of their high theoretical energy density and the abundance of sulfur. However, their commercialization is impeded by persistent challenges, including shuttle effect, dendrite formation, volume expansion, and sluggish redox kinetics. To mitigate these issues, two‑dimensional (2D) materials, which possess tunable physicochemical, electronic, and mechanical properties, have emerged as promising candidates. Despite significant progress, many conventional 2D host and interfacial materials still exhibit weak polysulfide adsorption and inadequate interfacial compatibility, limiting the efficiency of MSBs. This review provides a comprehensive overview of emerging 2D materials beyond graphene, including graphdiyne, phosphorene, borophene, siloxene, silicene, MBene, antimonene, and germanene. The functional roles of these materials in battery components sulfur hosts, anode protection layers, separators, and electrolytes are systematically analyzed in terms of their ability to suppress polysulfide migration, suppress dendrite growth, and stabilize electrode interfaces. Special emphasis is placed on the integration of machine learning (ML) and advanced operando characterization techniques to accelerate the discovery of 2D materials for MSBs. Finally, the review assesses practical barriers, such as scalable synthesis of 2D materials and industrial adoption of ML‑driven design workflows, and outlines next‑generation 2D material strategies to bridge fundamental research and real‑world deployment.