Size‐adjustable High‐Entropy Alloy Nanoparticles as an Efficient Platform for Electrocatalysis DOI Open Access

Huizhu Cai,

Hengpan Yang, Shijie He

и другие.

Angewandte Chemie, Год журнала: 2024, Номер unknown

Опубликована: Дек. 28, 2024

Abstract The high entropy alloy (HEA) possesses distinctive thermal stability and electronic characteristics, which exhibits substantial potential for diverse applications in electrocatalytic reactions. nanosize of HEA also has a significant impact on its catalytic performance. However, accurately controlling synthesizing small nanomaterials remains challenge, especially the ultrasmall nanoparticles. Herein, we firstly calculate illustrate size structure as well adsorption energies crucial intermediates involved typical processes, such hydrogen evolution reaction (HER), oxygen reduction (ORR), CO 2 electroreduction (CO RR) NO 3 − (NO RR). Under guidance theoretical calculations, synthesize range PtRuPdCoNi nanoparticles with adjustable sizes (1.7, 2.3, 3.0, 3.9 nm) using one‐step spatially confined approach, without any further treatment. Experimentally, smaller HEAs is more favorable HER ORR performances, aligning predictions. Specifically, sized at 1.7 nm (HEA‐1.7) endows 16 mV overpotential current density 10 mA cm −2 , yielding mass activity 31.9 A mg NM −1 noble metal HER, significantly outperforming commercial Pt/C catalyst. This strategy can be easily applicable to other reactions (e.g. ) attributed richness components adjustability, presenting promising platform various advanced catalysts.

Язык: Английский

Atomically thin high-entropy oxides via naked metal ion self-assembly for proton exchange membrane electrolysis DOI Creative Commons
Tao Zhang, Qingyi Liu, Haoming Bao

и другие.

Nature Communications, Год журнала: 2025, Номер 16(1)

Опубликована: Янв. 25, 2025

Язык: Английский

Процитировано

6
Expanding the frontiers of electrocatalysis: advanced theoretical methods for water splitting DOI Creative Commons
Seong Chan Cho,

Jun Ho Seok,

Hung Ngo Manh

и другие.

Nano Convergence, Год журнала: 2025, Номер 12(1)

Опубликована: Янв. 24, 2025

Abstract Electrochemical water splitting, which encompasses the hydrogen evolution reaction (HER) and oxygen (OER), offers a promising route for sustainable production. The development of efficient cost-effective electrocatalysts is crucial advancing this technology, especially given reliance on expensive transition metals, such as Pt Ir, in traditional catalysts. This review highlights recent advances design optimization electrocatalysts, focusing density functional theory (DFT) key tool understanding improving catalytic performance HER OER. We begin by exploring DFT-based approaches evaluating activity under both acidic alkaline conditions. then shifts to material-oriented perspective, showcasing catalyst materials theoretical strategies employed enhance their performance. In addition, we discuss scaling relationships that exist between binding energies electronic structures through use charge-density analysis d -band theory. Advanced concepts, effects adsorbate coverage, solvation, applied potential behavior, are also discussed. finally focus integrating machine learning (ML) with DFT enable high-throughput screening accelerate discovery novel water-splitting comprehensive underscores pivotal role plays electrocatalyst its shaping future Graphical

Язык: Английский

Процитировано

2
Revolutionizing electrochemical CO2 reduction to deeply reduced products on non-Cu-based electrocatalysts DOI

Haoming Yu,

Hsiwen Wu,

Yuen Leong Chow

и другие.

Energy & Environmental Science, Год журнала: 2024, Номер 17(15), С. 5336 - 5364

Опубликована: Янв. 1, 2024

Producing deeply reduced (>2 e − per carbon atom) products from the electrochemical CO 2 reduction reaction on non-Cu-based catalysts is an attractive and sustainable approach for utilization.

Язык: Английский

Процитировано

10
Fresh perspectives and insights into the challenges and opportunities in the emerging high-entropy electrocatalysts DOI

Chengchao He,

Duo Pan,

Xin Li

и другие.

Coordination Chemistry Reviews, Год журнала: 2025, Номер 531, С. 216496 - 216496

Опубликована: Фев. 16, 2025

Язык: Английский

Процитировано

1
Influence of Nanoparticle Seeds on the Formation and Growth of High Entropy Alloys during Core@Shell Nanoparticle Synthesis DOI
Gaurav R. Dey, Haley L. Young,

Simeon Teklu

и другие.

ACS Nano, Год журнала: 2025, Номер unknown

Опубликована: Фев. 26, 2025

The growth of inorganic shells on nanocrystal seeds to form core@shell nanoparticles is well-known enhance and improve properties performance, therefore foundational many applications. High entropy alloys, which contain five or more metals in near-equal amounts, are emerging as important materials due their synergistic properties. Integrating high alloys into the has potential combine expand benefits both. However, compositional complexity complicates shell because competing reactions byproducts that possible. Here, we report a synthetic protocol for growing alloy metal nanoparticle seeds, along with mechanistic insights from time-point studies define guidelines controlling composition, thickness, modes. By studying NiPdPtRhIr, SnPdPtRhIr, SnNiPdPtIr Au NiFePdRhIr both Pt find seed modifies reaction pathways accelerates formation compared when they synthesized directly absence seed. We also identify produce freestanding multimetallic particles instead desired shells, well evidence galvanic exchange ripening processes contribute growth. Based these insights, compiled roadmap design rules was then applied synthesis additional including SnNiFeRhIr SnNiFeCoPd, tolerance relative what can be achieved through direct synthesis.

Язык: Английский

Процитировано

1
Size‐adjustable High‐Entropy Alloy Nanoparticles as an Efficient Platform for Electrocatalysis DOI Open Access

Huizhu Cai,

Hengpan Yang, Shijie He

и другие.

Angewandte Chemie International Edition, Год журнала: 2024, Номер unknown

Опубликована: Дек. 28, 2024

Abstract The high entropy alloy (HEA) possesses distinctive thermal stability and electronic characteristics, which exhibits substantial potential for diverse applications in electrocatalytic reactions. nanosize of HEA also has a significant impact on its catalytic performance. However, accurately controlling synthesizing small nanomaterials remains challenge, especially the ultrasmall nanoparticles. Herein, we firstly calculate illustrate size structure as well adsorption energies crucial intermediates involved typical processes, such hydrogen evolution reaction (HER), oxygen reduction (ORR), CO 2 electroreduction (CO RR) NO 3 − (NO RR). Under guidance theoretical calculations, synthesize range PtRuPdCoNi nanoparticles with adjustable sizes (1.7, 2.3, 3.0, 3.9 nm) using one‐step spatially confined approach, without any further treatment. Experimentally, smaller HEAs is more favorable HER ORR performances, aligning predictions. Specifically, sized at 1.7 nm (HEA‐1.7) endows 16 mV overpotential current density 10 mA cm −2 , yielding mass activity 31.9 A mg NM −1 noble metal HER, significantly outperforming commercial Pt/C catalyst. This strategy can be easily applicable to other reactions (e.g. ) attributed richness components adjustability, presenting promising platform various advanced catalysts.

Язык: Английский

Процитировано

5
Accelerating Tandem Electroreduction of Nitrate to Ammonia via Multi‐Site Synergy in Mesoporous Carbon‐Supported High‐Entropy Intermetallics DOI
Guihua Zhu, Weichao Bao, Meng Xie

и другие.

Advanced Materials, Год журнала: 2024, Номер unknown

Опубликована: Дек. 8, 2024

Abstract The electrochemical nitrate reduction reaction (NO 3 − RR) for ammonia (NH ) synthesis represents a significant technological advancement, yet it involves cascade of elementary reactions alongside various intermediates. Thus, the development multi‐site catalysts enhancing NO RR and understanding associated mechanisms NH is vital. Herein, versatile approach presented to construct platinum based high‐entropy intermetallic (HEI) library synthesis. HEI nanoparticles (NPs) are uniformly supported on 2D nitrogen doped mesoporous carbon (N‐mC) framework, featured with adjustable compositions (up eight elements) high degree atomic order (over 90%). Guided by density functional theory (DFT) calculations structural analysis, quinary Pt 0.8 Fe 0.2 Co Ni Cu NPs N‐mC catalyst designed, which demonstrates large Faradaic efffciency (>97%) remarkable recyclability (>20 cycles) under both acidic basic conditions. combined in situ experimental analysis further DFT calculation suggests that well‐defined multi‐sites nature cooperate tandem mechanism, Pt‐X (X other four transition bridging sites offer optimal adsorption key nitrogen–oxygen species while facilitate generation *H species.

Язык: Английский

Процитировано

4
Transition Metal‐Based High‐Entropy Materials for Catalysis DOI Creative Commons
Jiwoo Lee, Jin Ho Seo, Bo Gao

и другие.

MetalMat, Год журнала: 2025, Номер unknown

Опубликована: Янв. 29, 2025

ABSTRACT High‐entropy materials (HEMs) have emerged as a pioneering paradigm in recent years, drawing substantial interest due to their unique combination of diverse elemental constituents and homogeneous solid‐solution structure. This novel material class not only opens up extensive potential for discovery through broad spectrum combinations but also facilitates fine‐tuning properties thanks its distinctive microstructural characteristics. HEMs garnered considerable attention across various applications, particularly catalysis. The virtually infinite variations compositional within these multi‐elemental systems enable meticulous optimization the catalytic performance. Additionally, high‐entropy structure potentially enhances structural, thermal, chemical stability, which is vital ensuring functionality under harsh conditions. Herein, we thoroughly explore exceptional attributes HEMs, designing strategies transition metal‐based catalysis, three major fields HEMs: electrocatalysis, photocatalysis, thermocatalysis. discussion aspires provide valuable perspectives into advancements innovations catalyst design development.

Язык: Английский

Процитировано

0
Insight into the structural reconstruction of alkaline water oxidation electrocatalysts DOI
Kaixi Wang, Yifei Xu,

Vahid Daneshvari-Esfahlan

и другие.

Nanoscale, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

This review explores precatalysts’ structural reconstruction during alkaline OER, summarizes methods probing evolution and influencing factors, guides dynamic regulation, discusses impacts on performance.

Язык: Английский

Процитировано

0
Activating the Basal Plane of 2D Transition Metal Dichalcogenides via High-Entropy Alloying DOI Creative Commons

Mohammad Amin Akhound,

Karsten W. Jacobsen, Kristian S. Thygesen

и другие.

Journal of the American Chemical Society, Год журнала: 2025, Номер unknown

Опубликована: Фев. 7, 2025

Two-dimensional materials, such as transition metal dichalcogenides (TMDCs) in the 2H or 1T crystal phases, are promising (electro)catalyst candidates due to their high surface-to-volume ratio and composition of low-cost, abundant elements. While edges elemental TMDC nanoparticles, MoS2, can show significant catalytic activity, basal plane pristine materials is notoriously inert, which limits normalized activity. Here, we that densities catalytically active sites be formed on by alloying elements prefer (1T) phase into a (2H) structure. The global stability alloy, particular, whether it crystallizes phase, controlled ensuring majority target phase. We further mixing entropy plays decisive role stabilizing implying high-entropy becomes essential. Our calculations point number interesting nonprecious hydrogen evolution catalysts, including (CrTaVHfZr)S2 (CrNbVTiZr)S2 1T-phase (MoNbTaVTi)S2 2H-phase. work opens new directions for designing via alloy stabilization locally unstable structures.

Язык: Английский

Процитировано

0