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Tensile-strained PtSnBiPdIn high-entropy-alloy nanoparticles with nanopore structures for efficient ethylene glycol oxidation performance
Nano Research 2025, 18(12): 94907754
Published: 24 November 2025
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High entropy alloys (HEAs) have garnered significant attention due to their distinctive properties, while their precise regulation remains at infancy stage. Herein, we report PtSnBiPdIn HEA nanoparticles with tensile-strain and nanoporous structures as high-performance electrocatalysts for oxidation of ethylene glycol to CO2. The mass activity (MA) of the PtSnBiPdIn/C catalyst for alkaline ethylene glycol oxidation reaction (EGOR) are 29.76 A·mgPt+Pd−1, which not only substantially surpasses those of commercial Pt/C and Pd/C catalysts but also ranks among the best reported EGOR catalysts. Moreover, this catalyst also greatly enhances in electrocatalytic performance for both methanol oxidation reaction (MOR) and ethanol oxidation reaction (EOR), showcasing its versatility across a wide range of alcohol oxidation reactions. In-situ Fourier transform infrared (FTIR) spectroscopy confirms the preferential selection of the non-CO reaction pathway. Density functional theory (DFT) calculation reveals that the PtSnBiPdIn HEA nanoparticles exhibit enhanced electron transfer, superior catalytic activity, and remarkable CO poisoning resistance.

Research Article Issue
Dual-metal atoms embedded into two-dimensional covalent organic framework as efficient electrocatalysts for oxygen evolution reaction: A DFT study
Nano Research 2022, 15(9): 7994-8000
Published: 21 June 2022
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The electrochemical oxygen evolution reaction (OER) is a half-reaction of water-splitting for hydrogen generation, yet suffers from its sluggish kinetics and large overpotential. It is highly desirable to develop efficient and stable OER electrocatalysts for the advancement of water-splitting. Herein, by means of density functional theory (DFT) calculations, we systematically investigated a series of two-dimensional (2D) dual-atom catalysts (DACs) on a novel synthesized covalent organic framework (COF) material as potential efficient catalysts toward the OER. The designed 6 homonuclear (2TM-COF) and 15 heteronuclear (TM1TM2-COF) DACs all exhibit good stability. There is a strong scaling relationship between the adsorption Gibbs free energies of HO* and HOO* intermediates, and the OER overpotential (ηOER) volcano curve can be plotted as a function of ΔGO* − ΔGHO*. RhIr-COF shows the best OER catalytic activity with a ηOER value of 0.29 V, followed by CoNi-COF (0.33 V), RuRh-COF (0.34 V), and NiIr-COF (0.37 V). These four OER DACs exhibit lower onset potential and higher current density than that of the IrO2(110) benchmark catalyst. Aided by the descriptor identification study, the Bader charge that correlated with the Pauling electronegativity of the embedded dual-metal atoms was found to be the most important factor governing the catalytic activity of the OER. Our work highlights a potentially efficient class of 2D COF-based DACs toward the OER.

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