High electrocatalytical performance of FeCoNiCuPd high-entropy alloy for nitrogen reduction reaction

Yu, Yingda; Zhang, Wei; Sun, Fu-li; Fang, Qiaojun; Pan, Jin-kong; Chen, Wenxian; Zhuang, Gui‐Lin

doi:10.1016/j.mcat.2022.112141

Cited by 23 publications

(9 citation statements)

References 50 publications

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“…The mentioned assets make HEAs obvious candidates for energy technology such as proton-exchange membrane electrolysis and alcohol fuel cells, which are likely focal points of future power-to-X technology. The usage of HEAs for electrocatalysis has been investigated theoretically, − and promising experimental results have already been reported for the oxygen reduction reaction (ORR), − hydrogen evolution reaction (HER), − oxygen evolution reaction (OER), − hydrogen oxidation reaction (HOR), CO 2 reduction, methanol/ethanol oxidation, − urea oxidation, glycerol oxidation, and combinations of these. − …”

Section: Introductionmentioning

confidence: 99%

Facile Solvothermal Synthesis of Pt–Ir–Pd–Rh–Ru–Cu–Ni–Co High-Entropy Alloy Nanoparticles

et al. 2022

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High-entropy alloys (HEAs) present a promising class of materials due to extraordinary properties and vast possibilities for tailoring product characteristics through changes in stoichiometry. Nanosized HEAs are especially interesting with respect to catalysis of multistep reactions and replacement of scarce, expensive, and/or toxic elements. Finding suitable methods for the synthesis of nano-HEAs remains a severe challenge, and typical methods are limited in productivity, compatibility of different elements, substrate types, and/or specialized laboratory equipment. Here, we report a simple solvothermal method for the synthesis of eight-component Pt−Ir−Pd−Rh−Ru−Cu−Ni−Co HEA nanoparticles with a high potential production capacity. The method relies on simple autoclaves heated to a moderate temperature. In situ X-ray scattering experiments show that the individual metal components form from one-element precursors at higher reaction temperatures, suggesting that the formation is auto-catalyzed, that is, the particles catalyze their own growth, in correspondence with previous findings for a five element (Pt−Ir−Rh−Pd−Ru) noble-metal HEA. This paper extends the method to cheaper and more abundant 3d metals (Co, Ni, and Cu) despite the differences in atomic radii and chemical reactivity and thereby adds significantly to the synthetic chemistry and understanding of HEA nanomaterials.

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Section: Introductionmentioning

confidence: 99%

Facile Solvothermal Synthesis of Pt–Ir–Pd–Rh–Ru–Cu–Ni–Co High-Entropy Alloy Nanoparticles

et al. 2022

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“…Yu et al conducted a thorough investigation of the catalytic mechanism of the NRR on FeCoNiCuPd HEA with various ratios of constituent metals using DFT calculations. 373 The formation energy calculation revealed the dependence of structural stability on the constituent ratios, and Ni 0.3 (FeCoCuPd) 0.175 was found to exhibit high thermal stability. The exposed crystal plane (111) of Ni 0.3 (FeCoCuPd) 0.175 exhibited outstanding NRR performance with a low overpotential of 0.34 eV.…”

Section: Electrocatalytic Applications Of Heasmentioning

confidence: 96%

High-entropy alloys in electrocatalysis: from fundamentals to applications

Ren,

Chen,

Wang

et al. 2023

Chem. Soc. Rev.

114

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“…High-entropy alloys (HEAs), the alloys containing at least 4 elements with configurational entropy of mixing ≥1.36R, [1] have been suggested to hold a high potential for applications in catalytic engineering. [2,3] They are currently studied in several reactions such as CO 2 (CO) reduction reaction, [4][5][6] alcohol oxidation reaction, [7] N 2 reduction reaction, [8,9] hydrogenation of nitrobenzene, [10,11] oxygen evolution reaction, [12] oxygen reduction reaction, [13][14][15][16] and hydrogen evolution reaction. [17,18] The reason behind the wide application is four-core effects, [19] where the cocktail effect plays a significant role in electronic properties, influencing catalytic properties directly.…”

Section: Introductionmentioning

confidence: 99%

First‐Principles Density Functional Theory and Machine Learning Technique for the Prediction of Water Adsorption Site on PtPd‐Based High‐Entropy‐Alloy Catalysts

Rittiruam

Setasuban

Noppakhun

et al. 2023

Advcd Theory and Sims

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The water‐gas shift reaction (WGSR) is employed in industry to obtain high‐purity H2 from syngas, where H2O adsorption is an important step that controls H2O dissociation in WGSR. Therefore, exploring catalysts exhibiting strong H2O adsorption energy (Eads) is crucial. Also, high‐entropy alloys (HEA) are promising materials utilized as catalysts, including in WGSR. The PtPd‐based HEA catalysts are explored via density functional theory (DFT) and Gaussian process regression. The input features are based on the microstructure data and electronic properties: d‐band center (εd) and Bader net atomic charge (δ). The DFT calculation reveals that the εd and δ of each active site of all HEA surfaces are broadly scattered, indicating that the electronic properties of each atom on HEA are non‐uniform and influenced by neighboring atoms. The strong H2O‐active‐site interaction determined by a highly negative Eads is used as a criterion to explore good PtPd‐based WGSR catalyst candidates. As a result, the potential candidates are found to have Co, Ru, and Fe as an H2O adsorption site with Ag as a neighboring atom, that is, PtPdRhAgCo, PtPdRuAgCo, PtPdRhAgFe, and PtPdRuAgFe.

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High electrocatalytical performance of FeCoNiCuPd high-entropy alloy for nitrogen reduction reaction

Cited by 23 publications

References 50 publications

Facile Solvothermal Synthesis of Pt–Ir–Pd–Rh–Ru–Cu–Ni–Co High-Entropy Alloy Nanoparticles

Facile Solvothermal Synthesis of Pt–Ir–Pd–Rh–Ru–Cu–Ni–Co High-Entropy Alloy Nanoparticles

High-entropy alloys in electrocatalysis: from fundamentals to applications

First‐Principles Density Functional Theory and Machine Learning Technique for the Prediction of Water Adsorption Site on PtPd‐Based High‐Entropy‐Alloy Catalysts

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