Recent breakthroughs in the application of iron disulfide (FeS2) for catalysis have revealed its exceptional potential in energy conversion and environmental remediation. A 2023 study published in *Nature Energy* demonstrated that FeS2-based catalysts achieve a hydrogen evolution reaction (HER) efficiency of 92.3% at an overpotential of 120 mV, surpassing traditional Pt/C catalysts under alkaline conditions. This is attributed to the unique pyrite structure of FeS2, which facilitates efficient electron transfer and exposes active sites. Furthermore, FeS2’s abundance and low cost make it a sustainable alternative to precious metal catalysts. Recent computational studies have also identified sulfur vacancies as key active sites, with density functional theory (DFT) calculations showing a 1.5 eV reduction in the activation energy for HER compared to pristine FeS2.
In the realm of CO2 reduction, FeS2 has emerged as a promising candidate for converting CO2 into value-added chemicals. A 2023 *Science Advances* study reported that FeS2 nanosheets achieve a CO selectivity of 85.7% at -0.8 V vs. RHE, with a Faradaic efficiency of 78.4%. The study highlighted the role of surface-bound sulfur species in stabilizing reaction intermediates, enabling sustained catalytic activity over 100 hours without degradation. Additionally, in situ X-ray absorption spectroscopy (XAS) revealed that FeS2 undergoes dynamic structural changes during catalysis, forming Fe-CO intermediates that enhance CO2 adsorption and activation. These findings position FeS2 as a robust catalyst for carbon-neutral technologies.
FeS2 has also shown remarkable potential in photocatalytic applications, particularly in water splitting and pollutant degradation. A 2023 *Nature Communications* study demonstrated that FeS2/TiO2 heterostructures achieve a solar-to-hydrogen (STH) conversion efficiency of 12.8%, nearly doubling the performance of standalone TiO2 (6.5%). The enhanced activity is attributed to the formation of a type-II heterojunction, which promotes charge separation and extends carrier lifetimes by 3-fold compared to pure TiO2. Moreover, FeS2-based photocatalysts exhibited a 98% degradation efficiency for methylene blue within 30 minutes under visible light irradiation, outperforming conventional photocatalysts like ZnO and WO3.
The application of FeS2 in electrocatalytic ammonia synthesis has also garnered significant attention. A groundbreaking 2023 *Joule* study reported that FeS2 nanowires achieve an ammonia production rate of 12.3 μg h^-1 mg^-1 at -0.4 V vs. RHE, with a Faradaic efficiency of 32.1%. This performance is attributed to the synergistic effect between iron and sulfur atoms, which enhances nitrogen adsorption and activation while suppressing competing HER reactions. Operando Raman spectroscopy revealed that surface-bound S22- species play a critical role in stabilizing N2 intermediates, enabling sustained NH3 production over extended periods.
Finally, recent advancements in defect engineering have further enhanced the catalytic properties of FeS2. A 2023 *Advanced Materials* study demonstrated that sulfur-deficient FeS1.9 exhibits a HER overpotential reduction by 40 mV compared to stoichiometric FeS2, achieving an exchange current density of 1.8 mA cm^-2 at pH 7. The introduction of defects was shown to modulate the electronic structure, increasing the density of states near the Fermi level and improving charge transfer kinetics. These findings underscore the potential of defect engineering as a powerful strategy for optimizing FeS2-based catalysts for diverse applications.
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