High entropy powering green energy: hydrogen, batteries, electronics, and catalysis

Abstract A reformation in energy is underway to replace fossil fuels with renewable sources, driven by the development of new, robust, and multi-functional materials. High-entropy materials (HEMs) have emerged as promising candidates for various green energy applications, having unusual chemistries...

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Main Authors: Guotao Qiu, Tianhao Li, Xiao Xu, Yuxiang Liu, Maya Niyogi, Katie Cariaga, Corey Oses
Format: Article
Language:English
Published: Nature Portfolio 2025-05-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01594-6
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author Guotao Qiu
Tianhao Li
Xiao Xu
Yuxiang Liu
Maya Niyogi
Katie Cariaga
Corey Oses
author_facet Guotao Qiu
Tianhao Li
Xiao Xu
Yuxiang Liu
Maya Niyogi
Katie Cariaga
Corey Oses
author_sort Guotao Qiu
collection DOAJ
description Abstract A reformation in energy is underway to replace fossil fuels with renewable sources, driven by the development of new, robust, and multi-functional materials. High-entropy materials (HEMs) have emerged as promising candidates for various green energy applications, having unusual chemistries that give rise to remarkable functionalities. This review examines recent innovations in HEMs, focusing on hydrogen generation/storage, fuel cells, batteries, semiconductors/electronics, and catalysis—where HEMs have demonstrated the ability to outperform state-of-the-art materials. We present new master plots that illustrate the superior performance of HEMs compared to conventional systems for hydrogen generation/storage and heat-to-electricity conversion. We highlight the role of computational methods, such as density functional theory and machine learning, in accelerating the discovery and optimization of HEMs. The review also presents current challenges and proposes future directions for the field. We emphasize the need for continued integration of modeling, data, and experiments to investigate and leverage the underlying mechanisms of the HEMs that are powering progress in sustainable energy.
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spelling doaj-art-50d88d96915b4d8f835d94d033aeda7a2025-08-20T02:34:07ZengNature Portfolionpj Computational Materials2057-39602025-05-0111112110.1038/s41524-025-01594-6High entropy powering green energy: hydrogen, batteries, electronics, and catalysisGuotao Qiu0Tianhao Li1Xiao Xu2Yuxiang Liu3Maya Niyogi4Katie Cariaga5Corey Oses6Department of Materials Science and Engineering, Johns Hopkins UniversityDepartment of Materials Science and Engineering, Johns Hopkins UniversityDepartment of Materials Science and Engineering, Johns Hopkins UniversityDepartment of Materials Science and Engineering, Johns Hopkins UniversityDepartment of Materials Science and Engineering, Johns Hopkins UniversityDepartment of Materials Science and Engineering, Johns Hopkins UniversityDepartment of Materials Science and Engineering, Johns Hopkins UniversityAbstract A reformation in energy is underway to replace fossil fuels with renewable sources, driven by the development of new, robust, and multi-functional materials. High-entropy materials (HEMs) have emerged as promising candidates for various green energy applications, having unusual chemistries that give rise to remarkable functionalities. This review examines recent innovations in HEMs, focusing on hydrogen generation/storage, fuel cells, batteries, semiconductors/electronics, and catalysis—where HEMs have demonstrated the ability to outperform state-of-the-art materials. We present new master plots that illustrate the superior performance of HEMs compared to conventional systems for hydrogen generation/storage and heat-to-electricity conversion. We highlight the role of computational methods, such as density functional theory and machine learning, in accelerating the discovery and optimization of HEMs. The review also presents current challenges and proposes future directions for the field. We emphasize the need for continued integration of modeling, data, and experiments to investigate and leverage the underlying mechanisms of the HEMs that are powering progress in sustainable energy.https://doi.org/10.1038/s41524-025-01594-6
spellingShingle Guotao Qiu
Tianhao Li
Xiao Xu
Yuxiang Liu
Maya Niyogi
Katie Cariaga
Corey Oses
High entropy powering green energy: hydrogen, batteries, electronics, and catalysis
npj Computational Materials
title High entropy powering green energy: hydrogen, batteries, electronics, and catalysis
title_full High entropy powering green energy: hydrogen, batteries, electronics, and catalysis
title_fullStr High entropy powering green energy: hydrogen, batteries, electronics, and catalysis
title_full_unstemmed High entropy powering green energy: hydrogen, batteries, electronics, and catalysis
title_short High entropy powering green energy: hydrogen, batteries, electronics, and catalysis
title_sort high entropy powering green energy hydrogen batteries electronics and catalysis
url https://doi.org/10.1038/s41524-025-01594-6
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