Non-Graphene Two-Dimensional Materials: Structure–Property–Application Relationships from a Curated Data Analysis

Abstract Two-dimensional (2D) materials beyond graphene have emerged as a diverse and rapidly expanding family of atomically thin structures with unique properties derived from quantum confinement, reduced dielectric screening, and high surface-to-volume ratios. This comprehensive data-driven analysis examines over 66 k publications from the CAS Content Collection (2016–2026), revealing the evolution, compositional diversity, and application landscape of nongraphene 2D materials. Publication volume increased nearly 10-fold during this period, with journal articles comprising 81% and patents 19%, reflecting strong academic momentum alongside commercial translation. Systematic classification identifies 12 major material families: MXenes (transition metal carbides/nitrides) dominate with metallic conductivity and tunable surface chemistry; Xenes (elemental 2D materials including phosphorene, silicene, borophene) offer semiconducting-to-metallic behavior; transition metal dichalcogenides (TMDs) provide tunable bandgaps for electronics and photonics; metal-free nitrides (h-BN, g-C3N4) serve specialized roles in dielectrics and photocatalysis; and emerging classes, including 2D perovskites, metal halides, organic frameworks (MOFs/COFs), layered double hydroxides, and clay minerals, expand functional diversity. Application mapping reveals clear structure–property–application relationships: redox-active systems excel in energy storage and catalysis; semiconductors with tunable bandgaps dominate electronics and photonics; layered structures provide barrier properties for coatings; specialized electronic configurations enable magnetic and photocatalytic functions. Growth trends indicate a transition from conventional systems toward compositionally engineered variants like Janus TMDs, ternary LDHs, mixed-halide perovskites, and functionalized MXenes. This highlights the field’s evolution toward application-driven materials design. This analysis provides strategic insights for rational material selection and identifies underexplored opportunities spanning flexible electronics, sustainable catalysis, and advanced energy technologies.