High-Entropy Alloys as Materials for Solid-State Hydrogen Storage: From Fundamental Principles to Directed Design Strategies
- 1Center of Excellence “VERITAS”, Daulet Serikbayev East Kazakhstan Technical University, Ust-Kamenogorsk 070000, Kazakhstan
- 2The Research Institute “Natural Sciences, Nanotechnology and New Materials”, Khoja Akhmet Yassawi International Kazakh-Turkish University, Turkestan 161200, Kazakhstan
- 3Nazarbayev Intellectual School of Natural Sciences and Mathematics in Turkestan, Turkistan 161222, Kazakhstan
Abstract
High-entropy alloys and the broader class of compositionally complex alloys have recently attracted significant attention as promising materials for solid-state hydrogen storage. Their potential arises not only from high configurational entropy but also from the possibility of tailoring phase composition, crystal structure, local chemical environment, and defect states that govern hydrogen sorption thermodynamics and kinetics. This review summarizes current understanding of hydrogen interaction mechanisms in HEAs and discusses the role of body-centered cubic (BCC), face-centered cubic (FCC), and Laves phases in determining hydrogen capacity, reversibility, and cyclic stability. The limitations of commonly used descriptors, including valence electron concentration (VEC), atomic size mismatch δ, enthalpy of mixing ΔHmix, and Ω parameter, in predicting hydrogen storage behavior are critically analyzed. Particular attention is given to the effects of processing methods, phase transformations during hydrogenation/dehydrogenation, and the energetic heterogeneity of interstitial sites in multicomponent systems. The review highlights that future progress will depend on the transition from empirical alloy discovery toward physically informed multiparametric design integrating CALPHAD, DFT modeling, machine learning, and in situ/operando characterization techniques for the development of efficient and durable hydrogen storage materials.
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BibTeX
@article{kurbanbekov2026highentropy,
title = {{High-Entropy Alloys as Materials for Solid-State Hydrogen Storage: From Fundamental Principles to Directed Design Strategies}},
author = {Sherzod Kurbanbekov and Mazhyn SKAKOV and Tolegen Kaisaruly and Yulduz Amangeldiyeva and Sherzod Jumadullaevich Ramankulov and Aidyn Tussupzhanov and Yerkhat Dauletkhanov},
journal = {Metals},
year = {2026},
month = may,
doi = {10.3390/met16060577},
url = {https://doi.org/10.3390/met16060577},
note = {CC BY},
}
RIS
TY - JOUR
TI - High-Entropy Alloys as Materials for Solid-State Hydrogen Storage: From Fundamental Principles to Directed Design Strategies
AU - Sherzod Kurbanbekov
AU - Mazhyn SKAKOV
AU - Tolegen Kaisaruly
AU - Yulduz Amangeldiyeva
AU - Sherzod Jumadullaevich Ramankulov
AU - Aidyn Tussupzhanov
AU - Yerkhat Dauletkhanov
PY - 2026
DA - 2026/05/25
JO - Metals
DO - 10.3390/met16060577
UR - https://doi.org/10.3390/met16060577
AB - High-entropy alloys and the broader class of compositionally complex alloys have recently attracted significant attention as promising materials for solid-state hydrogen storage. Their potential arises not only from high configurational entropy but also from the possibility of tailoring phase composition, crystal structure, local chemical environment, and defect states that govern hydrogen sorption thermodynamics and kinetics. This review summarizes current understanding of hydrogen interaction mechanisms in HEAs and discusses the role of body-centered cubic (BCC), face-centered cubic (FCC), and Laves phases in determining hydrogen capacity, reversibility, and cyclic stability. The limitations of commonly used descriptors, including valence electron concentration (VEC), atomic size mismatch δ, enthalpy of mixing ΔHmix, and Ω parameter, in predicting hydrogen storage behavior are critically analyzed. Particular attention is given to the effects of processing methods, phase transformations during hydrogenation/dehydrogenation, and the energetic heterogeneity of interstitial sites in multicomponent systems. The review highlights that future progress will depend on the transition from empirical alloy discovery toward physically informed multiparametric design integrating CALPHAD, DFT modeling, machine learning, and in situ/operando characterization techniques for the development of efficient and durable hydrogen storage materials.
SN - 2075-4701
ER -