Recent advancements in Ni3S2-based catalysts have demonstrated exceptional electrochemical performance in direct borohydride-hydrogen peroxide fuel cells (DBHPFCs). The unique crystalline structure of Ni3S2, characterized by its high electrical conductivity (up to 10^4 S/cm) and robust stability, enables efficient borohydride oxidation (BOR) with a current density of 45 mA/cm² at 0.6 V vs. RHE. This is significantly higher than traditional Pt/C catalysts, which achieve only 28 mA/cm² under similar conditions. The Ni3S2 catalyst also exhibits a low onset potential of -0.85 V, reducing energy losses and enhancing overall cell efficiency.
The catalytic mechanism of Ni3S2 in DBHPFCs has been elucidated through advanced in situ X-ray absorption spectroscopy (XAS) and density functional theory (DFT) calculations. These studies reveal that the Ni sites in Ni3S2 facilitate the cleavage of B-H bonds in borohydride ions (BH4⁻) with an activation energy of 0.45 eV, compared to 0.68 eV for Pt/C. Additionally, the sulfur atoms in Ni3S2 act as proton acceptors, accelerating the hydrogen evolution reaction (HER) with a turnover frequency (TOF) of 12 s⁻¹ at -0.7 V vs. RHE. This dual functionality ensures rapid kinetics and minimizes parasitic reactions, achieving a Faradaic efficiency of 92% for BOR.
The durability of Ni3S2 catalysts under operational conditions has been rigorously tested, showcasing remarkable resilience over prolonged use. Accelerated stress tests (ASTs) reveal that Ni3S2 retains 95% of its initial activity after 10,000 cycles at a scan rate of 100 mV/s, outperforming Pt/C, which degrades to 65% activity under the same conditions. This stability is attributed to the strong covalent bonding between Ni and S atoms, which prevents catalyst leaching and structural deformation even at high current densities (>50 mA/cm²). Such longevity makes Ni3S2 a cost-effective alternative to precious metal catalysts.
Scalability and practical implementation of Ni3S2 catalysts have been demonstrated through pilot-scale DBHPFC prototypes. A 100 cm² single-cell configuration equipped with Ni3S2 anodes achieved a peak power density of 320 mW/cm² at 60°C, surpassing the performance of Pt/C-based cells by 25%. Furthermore, the system exhibited a voltage efficiency of 65% over a continuous operation period of 500 hours, maintaining stable output without significant degradation. These results underscore the potential of Ni3S2 for large-scale energy applications.
Environmental and economic analyses highlight the sustainability advantages of Ni3S2 catalysts in DBHPFCs. Life cycle assessments (LCAs) indicate that replacing Pt/C with Ni3S2 reduces greenhouse gas emissions by 40% during catalyst production due to lower energy consumption and material costs ($15/g for Ni3S2 vs. $50/g for Pt). Additionally, the abundance of nickel and sulfur resources ensures long-term supply chain security, making Ni3S2 a viable candidate for commercial deployment in next-generation fuel cell technologies.
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