High-entropy nanoparticles (HE NPs) have emerged as a transformative class of materials in catalysis due to their unique compositional complexity and synergistic effects. Recent studies have demonstrated that HE NPs, such as (FeCoNiCuMn)Ox, exhibit exceptional oxygen evolution reaction (OER) performance with an overpotential of 230 mV at 10 mA/cm², surpassing benchmark IrO2 catalysts (280 mV). This enhancement is attributed to the high entropy-induced lattice distortion, which optimizes the adsorption energies of intermediates. Furthermore, density functional theory (DFT) calculations reveal that the multi-elemental sites in HE NPs facilitate a lower energy barrier for OER, achieving a turnover frequency (TOF) of 0.45 s⁻¹, compared to 0.12 s⁻¹ for single-metal oxides.
In the realm of CO2 reduction, HE NPs like (PdPtRhIrAu) have shown unprecedented selectivity and activity. Experimental results indicate a Faradaic efficiency of 98% for CO production at -0.6 V vs. RHE, outperforming traditional Pd-based catalysts (85%). The high entropy effect stabilizes intermediate *COOH species, reducing the activation energy from 0.82 eV to 0.56 eV, as confirmed by in situ X-ray absorption spectroscopy (XAS). Additionally, these HE NPs exhibit remarkable durability, maintaining 95% activity after 100 hours of operation, compared to a 40% decline in conventional catalysts.
Hydrogen evolution reaction (HER) catalysis has also benefited from HE NPs, with materials like (MoWReRuOs) demonstrating exceptional performance. These NPs achieve a low overpotential of 32 mV at 10 mA/cm² in acidic media, rivaling Pt/C catalysts (35 mV). The high entropy environment promotes electron delocalization and enhances proton adsorption kinetics, resulting in a TOF of 1.2 s⁻¹ at -50 mV vs. RHE. Moreover, HE NPs exhibit robust stability under harsh conditions, retaining 90% activity after 10,000 cycles in accelerated durability tests.
The application of HE NPs in selective hydrogenation reactions has opened new avenues for fine chemical synthesis. For instance, (NiCoFeCuZn) NPs catalyze the hydrogenation of nitrobenzene to aniline with a conversion rate of 99% and selectivity >99%, outperforming traditional Ni catalysts (85% conversion). The multi-elemental synergy modulates the electronic structure, reducing the activation energy from 1.2 eV to 0.8 eV. This is further supported by operando infrared spectroscopy showing enhanced adsorption of nitrobenzene on HE NP surfaces.
Finally, the scalability and cost-effectiveness of HE NPs are being explored through innovative synthesis methods like mechanochemical alloying and microwave-assisted reduction. Recent advancements have reduced production costs by 40% while maintaining catalytic performance metrics within ±5% deviation from lab-scale benchmarks. This paves the way for industrial adoption of HE NPs in large-scale catalytic processes.
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