Recent Advances in Molybdenum Disulphide and Diselenide (MoS₂/MoSe₂) for Renewable Energy Applications: A Critical Review (2021–2025)

Abstract

This review provides a comprehensive and critical analysis of the recent progress (2021–2025) in the application of molybdenum disulphide (MoS2) and molybdenum diselenide (MoSe2) for renewable energy. We focus on three pivotal areas: electro catalytic hydrogen evolution (HER), photovoltaics (PV), and energy storage. We dissect the key strategies for material enhancement, including Nano structuring, phase and defect engineering, and the design of advanced heterostructures. A central theme is the critical trade-off between enhancing performance metrics—such as catalytic activity, power conversion efficiency, and specific capacity—and ensuring long-term operational stability and scalability. By synthesizing findings from recent literature, we highlight a paradigm shift from single-material systems to complex, multi-component composites where synergistic effects are paramount. We critically evaluate the role of computational screening in accelerating material discovery and identify persistent challenges, including interfacial instability, intrinsic conductivity limitations, and the gap between lab-scale demonstration and industrial viability. The review concludes by outlining key knowledge gaps and proposing high-priority research directions aimed at unlocking the full potential of these versatile 2D materials for a sustainable energy future.