The integration of MoS2 with MXene has emerged as a transformative strategy for enhancing the catalytic performance of HER, owing to the synergistic interplay between MoS2's intrinsic catalytic activity and MXene's exceptional electrical conductivity. Recent studies have demonstrated that MoS2/MXene composites exhibit a significantly reduced overpotential (η10) of 78 mV at 10 mA/cm², compared to standalone MoS2 (η10 = 220 mV). This improvement is attributed to the optimized electronic structure at the heterointerface, which facilitates efficient charge transfer and exposes more active edge sites. Density functional theory (DFT) calculations reveal a Gibbs free energy change (ΔGH*) of -0.08 eV for hydrogen adsorption on the composite surface, approaching the ideal value of 0 eV. These findings underscore the potential of MoS2/MXene composites as a low-cost, high-performance alternative to Pt-based catalysts.
The structural engineering of MoS2/MXene composites has been pivotal in achieving unprecedented HER activity. By controlling the interlayer spacing and defect density, researchers have achieved a Tafel slope of 38 mV/dec, indicative of a Volmer-Heyrovsky mechanism dominating the reaction kinetics. In situ Raman spectroscopy has revealed that the introduction of MXene stabilizes the 1T phase of MoS2, which exhibits metallic conductivity and higher catalytic activity compared to the semiconducting 2H phase. The composite's stability has also been remarkable, with only a 5% loss in current density after 100 hours of continuous operation at -0.2 V vs. RHE. These advancements highlight the critical role of nanostructural design in optimizing HER performance.
The scalability and practical application of MoS2/MXene composites have been validated through large-scale synthesis techniques such as chemical vapor deposition (CVD) and hydrothermal methods. A recent study reported a production yield of 95% for composite films with thicknesses ranging from 10 nm to 500 nm, suitable for industrial-scale deployment. The cost-effectiveness is further emphasized by a material cost reduction of 60% compared to Pt/C catalysts while maintaining comparable HER activity. Additionally, these composites exhibit excellent mechanical flexibility, withstanding over 1,000 bending cycles without significant degradation in performance, making them ideal for flexible energy devices.
The environmental impact and sustainability of MoS2/MXene composites have been rigorously evaluated through life cycle assessment (LCA). The composite synthesis process generates only 0.5 kg CO₂ equivalent per gram of catalyst, significantly lower than traditional Pt-based systems (3 kg CO₂ equivalent per gram). Furthermore, MXenes derived from abundant precursors like Ti₃AlC₂ reduce reliance on rare earth elements. The recyclability of these composites has also been demonstrated, with over 90% recovery efficiency after five consecutive HER cycles. These attributes position MoS2/MXene composites as not only high-performing but also environmentally benign catalysts for sustainable hydrogen production.
Future research directions are focused on further enhancing the HER performance through advanced doping strategies and hybrid architectures. For instance, incorporating nitrogen-doped carbon quantum dots into MoS2/MXene composites has yielded an overpotential reduction to 62 mV at 10 mA/cm² and a Tafel slope of 32 mV/dec. Additionally, coupling these composites with other transition metal dichalcogenides or metal-organic frameworks (MOFs) could unlock new pathways for multi-functional catalysis. The integration of machine learning for material discovery and optimization is also anticipated to accelerate breakthroughs in this field.
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