Large-scale and facile synthesis of a porous high-entropy alloy CrMnFeCoNi as an efficient catalyst

Peng, Hailong; Xie, Yangcenzi; Xie, Zicheng; Wu, Yunfeng; Zhu, Wenkun; Liang, Shuquan; Wang, Liangbing

doi:10.1039/d0ta04940a

Cited by 43 publications

(41 citation statements)

References 63 publications

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“…[ 132 ] Recently, the development of high‐entropy alloys (HEAs) gives new inspiration in the enhancement of catalysts’ stability. [ 133,134 ] Increasing the number of elements to construct Cu‐based HEAs is potentially able to promote the catalytic stability due to the high‐entropy effect, sluggish effect, and synergistic effect. [ 133 ] For example, by wet chemistry method, Halas et al.…”

Section: Fabrication Of Cu‐based Catalystsmentioning

confidence: 99%

Copper‐Based Plasmonic Catalysis: Recent Advances and Future Perspectives

et al. 2021

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With the capability of inducing intense electromagnetic field, energetic charge carriers, and photothermal effect, plasmonic metals provide a unique opportunity for efficient light utilization and chemical transformation. Earth‐abundant low‐cost Cu possesses intense and tunable localized surface plasmon resonance from ultraviolet‐visible to near infrared region. Moreover, Cu essentially exhibits remarkable catalytic performance toward various reactions owing to its intriguing physical and chemical properties. Coupling with light‐harvesting ability and catalytic function, plasmonic Cu serves as a promising platform for efficient light‐driven chemical reaction. Herein, recent advancements of Cu‐based plasmonic photocatalysis are systematically summarized, including designing and synthetic strategies for Cu‐based catalysts, plasmonic catalytic performance, and mechanistic understanding over Cu‐based plasmonic catalysts. What's more, approaches for the enhancement of light utilization efficiency and construction of active centers on Cu‐based plasmonic catalysts are highlighted and discussed in detail, such as morphology and size control, regulation of electronic structure, defect and strain engineering, etc. Remaining challenges and future perspectives for further development of Cu‐based plasmonic catalysis are also proposed.

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Section: Fabrication Of Cu‐based Catalystsmentioning

confidence: 99%

Copper‐Based Plasmonic Catalysis: Recent Advances and Future Perspectives

et al. 2021

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“…Much works have been undertaken in order to realize the potential of HEAs in various fields such as superalloy, irradiation and corrosion resistances, superconductor, catalyst, etc. [4,[6][7][8] Among hundreds of different HEA systems synthesized and investigated, the CrFeNiCoMn, formed from five 3d transition metal elements, so called Cantor alloy is one of the most interest. Objectives such as phase stability, local lattice distortion, microstructure, magnetic and electronic structure properties, and their effects on mechanical, elastic properties and others have been continuously studied and actively discussed.…”

Section: Introductionmentioning

confidence: 99%

Stability and Thermodynamics Properties of CrFeNiCoMn/Pd High Entropy Alloys from First Principles

Tran

Saengdeejing

Suzuki

et al. 2021

J. Phase Equilib. Diffus.

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In this study, we focus on structural and thermodynamics properties, as well as phase stability of quinary CrFeCoNiMn and CrFeCoNiPd high-entropy alloys (HEA) for both equiatomic and non-equiatomic compositions. CrFeCoNiMn (Cantor alloy) is a widely studied fcc alloy, while CrFeCoNiPd is a newly reported fcc alloy, being synthesized by intentionally substituting Mn in Cantor alloy by Pd which has a markedly different atomic size and electronegativity from the other constituent elements and has been achieved the better mechanical properties than Cantor alloy in experiments. DFT-based integrated approaches are conducted on these two quinary systems to calculate the structural, electronic structure and magnetic properties at zero K, as well as the free energies as function of temperature including vibrational, configurational mixing entropy and thermal electronic effects. Various SQS models with about 200 atoms were created to simulate the equiatomic HEA and a special non-equiatomic HEA where a principal element has a rather high concentration while other four kinds of element have equal lower concentrations. Comparison between Mn-and Pd-HEAs in both equiatomic and non-equiatomic compositions shows that the stability of Mn-and Pd-HEAs at zero K and finite temperature are dominated by different mechanisms, this can explain the recent experimental observation that a pronounced spatial fluctuation in atomic fraction is much wider in Pd-HEA rather than in Mn-HEA.

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“…The systems are among of the most interesting in the HEA field. The FCC quinary CrFeNiCoMn HEA, formed from five 3d transition metal elements (called Cantor alloy), has a remarkable strength and ductility at high temperature [34]. By substituting Mn with the 4d element Pd, the FCC quinary CrFeNiCoPd HEA is recently reported with a around 2.5 times higher strength than that of CrFeNiCoMn at similar grain size, which also comparable to those of advanced high-strength steels [26].…”

Section: B Application In Heasmentioning

confidence: 96%

Element-wise representations with ECNet for material property prediction and applications in high-entropy alloys

Wang

Tran

et al. 2022

Preprint

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To develop machine learning models for accurate property prediction, the current graph networks are designed to give a sufficient representations of materials. However, the relationships between the atomic and structural inputs and many target properties are very complex, and even insensitive to the local environment. Here, we propose the elemental convolution (EC) operation to obtain a more general and global element-wise representations, and develop EC graph neural networks (ECNet) to accurately model material properties. We demonstrate that the ECNet models show better prediction in properties like band gaps, refractive index, and elastic moduli of crystals. The element-wise feature vectors are able to capture information of elemental types and crystal structures, and show a special characteristics related to its target properties. To explore its application on high entropy alloys, we focus on the properties modelling on CrFeNiCoMn/Pd high entropy alloys. Multi-task learning of ECNet models show its advantage in accuracy and convenience for multiple property predictions. Furthermore, we demonstrate that the transfer learning (TL) from the less-principal element alloys can enhance model performance in multiple-principal element alloys. Generally, the TL element-wise feature vectors extracted from parent model can be used as universal descriptors and retain good accuracy at small data limits when combined with simple multi-layer perceptrons. Finally, the TL framework is used to do interpolations in Fe-Co-Mn system to understand the underlying physics including the stability and magnetic moment.PACS numbers: 74.25.-q,71.15.-m,89.20.Ff

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Large-scale and facile synthesis of a porous high-entropy alloy CrMnFeCoNi as an efficient catalyst

Abstract: High-entropy alloys (HEAs) have exhibited large potential to serve as excellent heterogeneous catalysts in a variety of reactions. Although several synthetic procedures have been reported, developing novel routes to facilely...

Cited by 43 publications

References 63 publications

Copper‐Based Plasmonic Catalysis: Recent Advances and Future Perspectives

Copper‐Based Plasmonic Catalysis: Recent Advances and Future Perspectives

Stability and Thermodynamics Properties of CrFeNiCoMn/Pd High Entropy Alloys from First Principles

Element-wise representations with ECNet for material property prediction and applications in high-entropy alloys

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