Mo2CTx MXene for hydrogen evolution reaction (HER)

Recent advancements in the field of electrocatalysis have highlighted Mo2CTx MXene as a promising candidate for the hydrogen evolution reaction (HER) due to its unique electronic structure and high surface area. Experimental studies have demonstrated that Mo2CTx exhibits an overpotential of 98 mV at a current density of 10 mA/cm², which is significantly lower than that of traditional Pt/C catalysts (110 mV). The Tafel slope of Mo2CTx was measured at 48 mV/dec, indicating rapid kinetics for proton reduction. Density functional theory (DFT) calculations further reveal that the exposed Mo sites on the MXene surface possess optimal hydrogen adsorption free energy (ΔGH*) of -0.12 eV, closely approaching the ideal value of 0 eV. These findings underscore the potential of Mo2CTx as a cost-effective alternative to noble metal catalysts.

The stability and durability of Mo2CTx MXene under HER conditions have been rigorously tested, with results showing minimal degradation over extended operation periods. In a 100-hour chronoamperometry test at a constant potential of -0.15 V vs. RHE, the current density retained 95% of its initial value, demonstrating exceptional electrochemical stability. Post-test characterization using X-ray photoelectron spectroscopy (XPS) confirmed the preservation of the MXene’s structural integrity, with no significant oxidation or phase transformation observed. Additionally, in-situ Raman spectroscopy revealed that the active sites on Mo2CTx remain highly accessible even after prolonged exposure to acidic electrolytes (0.5 M H₂SO₄). This robustness positions Mo2CTx as a viable long-term catalyst for industrial-scale hydrogen production.

The tunability of Mo2CTx MXene’s surface chemistry has been exploited to further enhance its HER performance. Functionalization with oxygen-containing groups (-OH, -O) has been shown to improve hydrophilicity and facilitate proton adsorption, reducing the overpotential to 85 mV at 10 mA/cm². Moreover, doping with transition metals such as Ni and Co has led to synergistic effects, with Ni-doped Mo2CTx achieving an overpotential of 72 mV and a Tafel slope of 34 mV/dec. These modifications not only optimize the electronic properties but also increase the density of active sites, as evidenced by electrochemical impedance spectroscopy (EIS) showing a charge transfer resistance (Rct) reduction from 12 Ω to 6 Ω.

Scalability and practical application of Mo2CTx MXene have been demonstrated through large-scale synthesis methods and integration into membrane electrode assemblies (MEAs). A roll-to-roll fabrication process yielded uniform Mo2CTx films with a thickness of 50 nm and an active area exceeding 100 cm², achieving an overpotential of 105 mV at 10 mA/cm² in full-cell configurations. Furthermore, when integrated into proton exchange membrane electrolyzers (PEMEs), Mo2CTx exhibited a cell voltage of 1.65 V at a current density of 1 A/cm², comparable to state-of-the-art Pt-based systems but at a fraction of the cost. These results highlight the feasibility of transitioning Mo2CTx from laboratory-scale experiments to commercial applications.

Environmental impact assessments have also been conducted to evaluate the sustainability of Mo2CTx MXene production and usage. Life cycle analysis (LCA) revealed that the energy consumption for synthesizing Mo2CTx is approximately 20 kWh/kg, significantly lower than that required for Pt/C catalysts (150 kWh/kg). Additionally, recycling studies demonstrated that up to 90% of the MXene material can be recovered and reused without compromising catalytic performance. This combination of high efficiency, durability, tunability, scalability, and sustainability positions Mo2CTx MXene as a transformative material for advancing green hydrogen technologies.

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