Accelerating the Discovery of Efficient High-Entropy Alloy Electrocatalysts: High-Throughput Experimentation and Data-Driven Strategies DOI

Xiangyi Shan,

Yiyang Pan,

Furong Cai

et al.

Nano Letters, Journal Year: 2024, Volume and Issue: 24(37), P. 11632 - 11640

Published: Sept. 3, 2024

High-entropy alloys (HEAs) present both significant potential and challenges for developing efficient electrocatalysts due to their diverse combinations compositions. Here, we propose a procedural approach that combines high-throughput experimentation with data-driven strategies accelerate the discovery of HEA hydrogen evolution reaction (HER). This enables rapid preparation arrays various element composition ratios within model system. The intrinsic activity is swiftly screened using scanning electrochemical cell microscopy (SECCM), providing precise composition-activity data sets An ensemble machine learning (EML) then used predict database subspace Based on these results, two groups promising catalysts are recommended validated through actual electrocatalytic evaluations. approach, which strategies, provides new pathway electrocatalysts.

Language: Английский

Acidic Hydrogen Evolution Electrocatalysis at High‐Entropy Alloys Correlates with its Composition‐Dependent Potential of Zero Charge DOI Creative Commons
Moonjoo Kim, Emmanuel Batsa Tetteh, Olga A. Krysiak

et al.

Angewandte Chemie International Edition, Journal Year: 2023, Volume and Issue: 62(39)

Published: Aug. 4, 2023

The vast possibilities in the elemental combinations of high-entropy alloys (HEAs) make it essential to discover activity descriptors for establishing rational electrocatalyst design principles. Despite increasing attention on potential zero charge (PZC) hydrogen evolution reaction (HER) electrocatalyst, neither PZC HEAs nor impact HER at has been described. Here, we use scanning electrochemical cell microscopy (SECCM) determine and activities various compositions a Pt-Pd-Ru-Ir-Ag thin-film HEA materials library (HEA-ML) with high statistical reliability. Interestingly, is linearly correlated its composition-weighted average work function. current density acidic media positively correlates PZC, which can be explained by preconcentration H+ electrical double layer potentials negative PZC.

Language: Английский

Citations

28

Future prospects of high-entropy alloys as next-generation industrial electrode materials DOI Creative Commons
Saikat Bolar, Yoshikazu Ito, Takeshi Fujita

et al.

Chemical Science, Journal Year: 2024, Volume and Issue: 15(23), P. 8664 - 8722

Published: Jan. 1, 2024

High-entropy alloys hold significant promise as electrode materials, even from industrial aspect. This potential arises their ability to optimize electronic structures and reaction sites, stemming complex adjustable composition.

Language: Английский

Citations

14

High-throughput and data-driven machine learning techniques for discovering high-entropy alloys DOI Creative Commons

Lu Zhichao,

Dong Ma,

Liu Xiongjun

et al.

Communications Materials, Journal Year: 2024, Volume and Issue: 5(1)

Published: May 17, 2024

Abstract High-entropy alloys (HEAs) have attracted extensive attention in recent decades due to their unique chemical, physical, and mechanical properties. An in-depth understanding of the structure–property relationship HEAs is key discovery design new compositions with desirable Related this, materials genome strategy has been increasingly used for discovering better performance. This review paper provides an overview advances this fast-growing area, along current challenges potential opportunities HEAs. We also discuss related topics, such as high-throughput preparation, characterization, computation HEAs, data-driven machine learning accelerating alloy development. Finally, future research directions perspectives genome-assisted are proposed discussed.

Language: Английский

Citations

13

What do we know about the electrochemical stability of high-entropy alloys? DOI Creative Commons
Tatiana Priamushko, Attila Kormányos, Serhiy Cherevko

et al.

Current Opinion in Chemical Engineering, Journal Year: 2024, Volume and Issue: 44, P. 101020 - 101020

Published: April 16, 2024

High-entropy alloys (HEAs) possess unique physical and chemical properties clearly distinguishable from those of traditional alloys, making them promising candidates for various applications, including electrocatalysis. While the electrocatalytic performance these has been assessed in detail, electrochemical stability is often assumed to be improved compared with single metals simple alloys. Such an assumption rarely supported by theoretical or experimental data might misleading further successful implementation HEAs real devices. In this review, we provide a brief overview current state research direction, identify common pitfalls assessing alloy stability, discuss need advanced coupled experimental/computational studies directed toward understanding partial dissolution elements

Language: Английский

Citations

12

Accelerating the Discovery of Efficient High-Entropy Alloy Electrocatalysts: High-Throughput Experimentation and Data-Driven Strategies DOI

Xiangyi Shan,

Yiyang Pan,

Furong Cai

et al.

Nano Letters, Journal Year: 2024, Volume and Issue: 24(37), P. 11632 - 11640

Published: Sept. 3, 2024

High-entropy alloys (HEAs) present both significant potential and challenges for developing efficient electrocatalysts due to their diverse combinations compositions. Here, we propose a procedural approach that combines high-throughput experimentation with data-driven strategies accelerate the discovery of HEA hydrogen evolution reaction (HER). This enables rapid preparation arrays various element composition ratios within model system. The intrinsic activity is swiftly screened using scanning electrochemical cell microscopy (SECCM), providing precise composition-activity data sets An ensemble machine learning (EML) then used predict database subspace Based on these results, two groups promising catalysts are recommended validated through actual electrocatalytic evaluations. approach, which strategies, provides new pathway electrocatalysts.

Language: Английский

Citations

9