Hydrogen Storage Behavior of Ti-Based High-Entropy Alloys: A Review
Article Information
Abstract
Titanium-based high-entropy alloys (HEAs) have emerged as promising solid-state hydrogen storage materials owing to their structural stability, tunable thermodynamics, and rapid kinetics. This review systematically examines the hydrogen storage behaviour of Ti-based HEAs across three structural categories: body-centered cubic (BCC) single-phase alloys, C14 Laves phase alloys, and multiphase systems containing CsCl-type structures. The high-entropy effect, severe lattice distortion, sluggish diffusion, and cocktail effect collectively enable these alloys to overcome key limitations of conventional materials, including difficult activation, poor reversibility, and insufficient cycling stability. Critical roles of constituent elements—Ti, V, Cr, Zr, Fe, and Mn—in modulating phase stability, hydrogen affinity, and kinetics are discussed. Empirical design parameters such as mixing entropy, valence electron concentration, atomic size mismatch, and electronegativity difference guide composition optimization. Advanced processing techniques, including mechanical alloying, high-pressure torsion, and melt spinning, enhance microstructural control and performance. Recent integration of CALPHAD, density functional theory, and machine learning has accelerated alloy discovery and design. Despite significant progress, challenges persist in balancing capacity with reversibility, mitigating surface oxidation, and ensuring processing consistency. This review provides a comprehensive framework for understanding structure–property relationships in Ti-based HEAs and outlines future directions toward practical hydrogen storage applications.
Graphical Abstract
Keywords
Data Availability Statement
Funding
Conflicts of Interest
AI Use Statement
Ethical Approval and Consent to Participate
References
- Hu, H. Z., Zhang, X. X., Li, S. S., Yi, L. C., & Chen, Q. J. (2024). A review of body-centered cubic-structured alloys for hydrogen storage: composition, structure, and properties. Rare Metals, 44(3), 1497–1521.
[CrossRef] [Google Scholar] - Hu, H. Z., Xiao, H. Q., He, X. C., Zhou, W. H., Zhang, X. X., Tang, R. Z., ... & Chen, Q. J. (2024). Development of Ti–V–Cr–Mn–Mo–Ce high‐entropy alloys for high‐density hydrogen storage in water bath environments. Rare Metals, 43(10), 5229-5241.
[CrossRef] [Google Scholar] - Hu, J., Zhang, J., Xiao, H., Xie, L., Sun, G., Shen, H., ... & Zu, X. (2021). A first-principles study of hydrogen storage of high entropy alloy TiZrVMoNb. International Journal of Hydrogen Energy, 46(40), 21050-21058.
[CrossRef] [Google Scholar] - Kamble, A., Sharma, P., & Huot, J. (2020). Effect of heat treatment on crystal structure, microstructure, and hydrogenation behavior of BCC 52Ti-12V-36Cr alloys with Zr and Zr-Ni additives. Metallurgical and Materials Transactions A, 51(4), 1945-1952.
[CrossRef] [Google Scholar] - Gao, Y., Yin, D., Li, Y., Luo, L., Ding, N., Wang, Z., ... & Cheng, Y. (2024). Composition optimization and hydrogen storage properties of Ti–V–Mn–Fe alloys. International Journal of Hydrogen Energy, 51, 88-97.
[CrossRef] [Google Scholar] - Wei, M., Liu, Y., Xing, X., Zhang, Z., & Liu, T. (2023). (TiVZrNb) 83Cr17 high-entropy alloy as catalyst for hydrogen storage in MgH2. Chemical Engineering Journal, 476, 146639.
[CrossRef] [Google Scholar] - Serrano, L. B., Moussa, M., Yao, J. Y., Silva, G., Bobet, J. L., Ferreira, S. S., & Kátia, R. (2023). Development of Ti-V-Nb-Cr-Mn high entropy alloys for hydrogen storage. Journal of Alloys and Compounds, 945, 169289. https://dx.doi.org/10.1016/j.jallcom.2023.169289
[Google Scholar] - Zhai, Y. T., Li, Y. M., Bolzoni, L., Kennedy, J., & Yang, F. (2024). Effect of heat treatment on microstructural evolution and hydrogen storage performance of as-milled Ti5+xV35(CrMnFe)60-x (x=0, 10, 20, 30) high-entropy alloys. International Journal of Hydrogen Energy, 81, 584–594.
[CrossRef] [Google Scholar] - Kumar, A., Yadav, T. P., Shaz, M. A., & Mukhopadhyay, N. K. (2024). Hydrogen storage properties in rapidly solidified TiZrVCrNi high‐entropy alloys. Energy Storage, 6(1), e532.
[CrossRef] [Google Scholar] - Park, K. B., Park, J. Y., Kim, Y. D., Fadonougbo, J. O., Kim, S., Kim, H. K., ... & Park, H. K. (2022). Characterizations of hydrogen absorption and surface properties of Ti0. 2Zr0. 2Nb0. 2V0. 2Cr0. 17Fe0. 03 high entropy alloy with dual phases. Metals and Materials International, 28(2), 565-571.
[CrossRef] [Google Scholar] - Cao, Z. M., Zhou, P. P., Xiao, X. Z., Zhan, L. J., Jiang, Z. F., Wang, S. M., ... & Chen, L. X. (2022). Development of Ti0. 85Zr0. 17 (Cr‐Mn‐V) 1.3 Fe0. 7‐based Laves phase alloys for thermal hydrogen compression at mild operating temperatures. Rare Metals, 41(8), 2588-2594.
[CrossRef] [Google Scholar] - Ma, X. F., Ding, X., Liu, E. L., Chen, R. R., Wang, X. X., Zhang, Y., & Guo, J. J. (2024). Modification of BCC phase and the enhanced reversible hydrogen storage properties of Ti-V-Fe-Mn alloys with varied V/Fe ratios. China Foundry, 21(5), 546-554.
[CrossRef] [Google Scholar] - Zhao, Y., Cai, H., Cao, Y., Zhang, Y., Xu, D., Wang, H., ... & Xue, Y. (2025). Improved dynamic performance of Ni-doped Ti–Cr–Mo BCC alloys for hydrogen storage at ambient temperature. Journal of Materials Science, 60(32), 14048-14056.
[CrossRef] [Google Scholar] - Kao, Y. F., Chen, S. K., Sheu, J. H., Lin, J. T., Lin, W. E., Yeh, J. W., ... & Wang, C. W. (2010). Hydrogen storage properties of multi-principal-component CoFeMnTixVyZrz alloys. International Journal of Hydrogen Energy, 35(17), 9046-9059.
[CrossRef] [Google Scholar] - Mishra, S. S., Mukhopadhyay, S., Yadav, T. P., Mukhopadhyay, N. K., & Srivastava, O. N. (2019). Synthesis and characterization of hexanary Ti–Zr–V–Cr–Ni–Fe high-entropy Laves phase. Journal of Materials Research, 34(5), 807-818.
[CrossRef] [Google Scholar] - Cheng, B., Li, Y., Li, X., Ke, H., Wang, L., Cao, T., ... & Xue, Y. (2023). Solid-state hydrogen storage properties of Ti–V–Nb–Cr high-entropy alloys and the associated effects of transitional metals (M= Mn, Fe, Ni). Acta Metallurgica Sinica (English Letters), 36(7), 1113-1122.
[CrossRef] [Google Scholar] - Edalati, P., Andrade, G., Strozi, R. B., Dangwal, S., Edalati, K., & Floriano, R. (2025). Room temperature hydrogen storage properties of Ti-Zr-Mn-Fe-Co high-entropy alloys designed by semi-empirical descriptors, thermodynamic calculations and machine learning. Journal of Alloys and Compounds, 1022, 180051.
[CrossRef] [Google Scholar] - Floriano, R., Zepon, G., Edalati, K., Fontana, G. L., Mohammadi, A., Ma, Z., ... & Contieri, R. J. (2020). Hydrogen storage in TiZrNbFeNi high entropy alloys, designed by thermodynamic calculations. International Journal of Hydrogen Energy, 45(58), 33759-33770.
[CrossRef] [Google Scholar] - Hu, J., Zhang, J., Xiao, H., Xie, L., Sun, G., Shen, H., ... & Zu, X. (2021). The effect of hydrogen on the mechanical properties of high entropy alloy TiZrHfMoNb: First-principles investigation. Journal of Alloys and Compounds, 879, 160482.
[CrossRef] [Google Scholar] - Singh, A., Kumari, P., Sahoo, S. K., & Shahi, R. R. (2025). Studies on hydrogen storage properties of TiVFeNi,(TiVFeNi) 95Zr5 and (TiVFeNi) 90Zr10 high entropy alloys. International Journal of Hydrogen Energy, 141, 738-749.
[CrossRef] [Google Scholar] - Zhu, Y., Yang, X. S., Xu, Z. L., Tsui, G. C. P., Zhou, Q., Tang, R., ... & Chan, K. (2024). Development of AB2-type TiZrCrMnFeCoV intermetallic high-entropy alloy for reversible room-temperature hydrogen storage. Journal of Energy Storage, 75, 109553.
[CrossRef] [Google Scholar] - Dangwal, S., & Edalati, K. (2024). High-entropy alloy TiV2ZrCrMnFeNi for hydrogen storage at room temperature with full reversibility and good activation. Scripta Materialia, 238, 115774.
[CrossRef] [Google Scholar] - Edalati, P., Floriano, R., Mohammadi, A., Li, Y., Zepon, G., Li, H. W., & Edalati, K. (2020). Reversible room temperature hydrogen storage in high-entropy alloy TiZrCrMnFeNi. Scripta Materialia, 178, 387-390.
[CrossRef] [Google Scholar] - Ha, H., Jung, S. J., Jeong, S. G., Kim, R. E., Park, H. K., & Kim, H. S. (2025). Enhancing hydrogen storage kinetics and capacity via particle size modulation in TiZrCrFeMnNi high-entropy alloy. International Journal of Hydrogen Energy, 99, 1047-1054.
[CrossRef] [Google Scholar] - Lee, H., Dewangan, S. K., Sharma, A., & Ahn, B. (2025). Initial hydrogenation in multiphase TiFeCoNiCu high-entropy alloy for hydrogen storage. Journal of Alloys and Compounds, 1022, 179711.
[CrossRef] [Google Scholar] - Chen, J., Xu, T., Zhang, J., Huang, H., Yuan, J., Liu, B., ... & Wu, Y. (2024). Improving the plateau performance of the TiZrFeMnCrV high-entropy alloy by partial substitution of V with Fe, Mn and Cr. Materials Chemistry and Physics, 318, 129219.
[CrossRef] [Google Scholar] - Enblom, V., Clulow, R., Ha, T. J., Witman, M. D., Way, L. E., Han, S. J., ... & Fadonougbo, J. O. (2025). A combined experimental and machine learning exploration of Ti2-xZrxMnCrFeNi high entropy Laves hydrides. Materialia, 40, 102414.
[CrossRef] [Google Scholar] - Shen, H., Hu, J., Li, P., Huang, G., Zhang, J., Zhang, J., ... & Peng, S. (2020). Compositional dependence of hydrogenation performance of Ti-Zr-Hf-Mo-Nb high-entropy alloys for hydrogen/tritium storage. Journal of Materials Science & Technology, 55, 116-125.
[CrossRef] [Google Scholar] - Vicente, I. S., Andrade, G., Silva, B. H., Ponsoni, J. B., Dias, J. A., Zepon, G., ... & Floriano, R. (2025). Exploring the Dual-Phase Configuration of Multicomponent Alloys in the Ti21Zr21V x Fe y Ni z (x+ y+ z= 58 at\%) System for Room Temperature Hydrogen Storage. Energy & Fuels, 39(33), 15888-15902.
[CrossRef] [Google Scholar] - Andrade, G., Huot, J., & Floriano, R. (2025). Microstructural evolution and hydrogen storage performance of TiZrHfVNb1-xCux (for X = 0, 0.6, 0.8 and 1) high-entropy alloys. Materials Chemistry and Physics, 343, 131069.
[CrossRef] [Google Scholar] - Savvotin, I., Berdonosova, E., Korol, A., Zadorozhnyy, V., Zadorozhnyy, M., Bazlov, A., ... & Klyamkin, S. (2024). Evaluation of hydrogen storage performance of Ti0. 25Zr0. 25V0. 15Nb0. 15Ta0. 2 high-entropy alloy using calorimetric technique. Journal of Alloys and Compounds, 1005, 176022.
[CrossRef] [Google Scholar] - Liu, J., Xu, J., Sleiman, S., Chen, X., Zhu, S., Cheng, H., & Huot, J. (2021). Microstructure and hydrogen storage properties of Ti–V–Cr based BCC-type high entropy alloys. International Journal of Hydrogen Energy, 46(56), 28709-28718.
[CrossRef] [Google Scholar] - Zareipour, F., Shahmir, H., Huang, Y., Patel, A. K., Dematteis, E. M., & Baricco, M. (2024). Hydrogen storage in TiVCr (Fe, Co)(Zr, Ta) multi-phase high-entropy alloys. International Journal of Hydrogen Energy, 94, 639-649.
[CrossRef] [Google Scholar] - Liang, J., Li, G., Ding, X., Li, Y., Wen, Z., Zhang, T., & Qu, Y. (2024). The synergistic effect of Ni and C14 Laves phase on the hydrogen storage properties of TiVZrNbNi high entropy hydrogen storage alloy. Intermetallics, 164, 108102.
[CrossRef] [Google Scholar] - Liang, J., Li, G., Ding, X., Li, Y., Wen, Z., Zhang, T., & Qu, Y. (2023). Effect of C14 Laves/BCC on microstructure and hydrogen storage properties of (Ti32. 5V27. 5Zr7. 5Nb32. 5) 1-xFex (x= 0.03, 0.06, 0.09) high entropy hydrogen storage alloys. Journal of Energy Storage, 73, 108852.
[CrossRef] [Google Scholar] - Wen, Z., Li, G., Wang, S., Li, Y., Zhang, T., Ding, X., & Qu, Y. (2025). Effect of Zr content on hydrogen absorption and desorption properties of Ti35-xV25Cr15Nb25Zrx (x= 0, 2, 4, 6, 8) high entropy alloys. International Journal of Hydrogen Energy, 175, 151468.
[CrossRef] [Google Scholar] - Wang, J., Zhou, P., Jia, Y., Feng, J., Qi, J., Chu, F., ... & Xiao, X. (2024). Binding energy crossover mechanism enables low-temperature hydrogen storage performance of dual-phase TiZrCrMnNi (VFe) high-entropy alloy. Chemical Engineering Journal, 502, 157871.
[CrossRef] [Google Scholar] - Chen, J., Huang, H., Xu, T., Lv, Y., Liu, B., Zhang, B., ... & Wu, Y. (2024). Enhancement of vanadium addition on hydrogen storage properties of high entropy alloys TiZrFeMnCrVx. International Journal of Hydrogen Energy, 50, 1223-1233.
[CrossRef] [Google Scholar] - Hidalgo-Jimenez, J., Cubero-Sesin, J. M., Edalati, K., Khajavi, S., & Huot, J. (2023). Effect of high-pressure torsion on first hydrogenation of Laves phase Ti0. 5Zr0. 5 (Mn1-xFex) Cr1 (x= 0, 0.2 and 0.4) high entropy alloys. Journal of Alloys and Compounds, 969, 172243.
[CrossRef] [Google Scholar] - Cheng, B., Dou, B., Kong, L., Wan, D., & Xue, Y. (2025). Synergistic and Competing Effects of Iron in TiVNbCr‐Based High‐Entropy Alloys for Reversible Hydrogen Storage. Small, 21(44), e08310.
[CrossRef] [Google Scholar] - Hu, J., Zhang, J., Xiao, H., Xie, L., Shen, H., Li, P., ... & Zu, X. (2020). A density functional theory study of the hydrogen absorption in high entropy alloy TiZrHfMoNb. Inorganic Chemistry, 59(14), 9774-9782.
[CrossRef] [Google Scholar] - Montero, J., Ek, G., Laversenne, L., Nassif, V., Zepon, G., Sahlberg, M., & Zlotea, C. (2020). Hydrogen storage properties of the refractory Ti–V–Zr–Nb–Ta multi-principal element alloy. Journal of Alloys and Compounds, 835, 155376.
[CrossRef] [Google Scholar] - Andrade, G., Zepon, G., Edalati, K., Mohammadi, A., Ma, Z., Li, H. W., & Floriano, R. (2023). Crystal structure and hydrogen storage properties of AB-type TiZrNbCrFeNi high-entropy alloy. International Journal of Hydrogen Energy, 48(36), 13555-13565.
[CrossRef] [Google Scholar] - Zhai, Y. T., Li, Y. M., Liu, Z. C., Bolzoni, L., Kennedy, J., & Yang, F. (2025). Hydrogen ab/desorption behavior of the mechanical alloyed Ti–V–Cr–Mn–Fe HEAs with varying Mn/Cr ratio. International Journal of Hydrogen Energy, 109, 1008-1022.
[CrossRef] [Google Scholar] - Kumar, A., Yadav, T. P., Shaz, M. A., & Mukhopadhyay, N. K. (2024). Hydrogen storage performance of C14 type Ti0. 24V0. 17Zr0. 17Mn0. 17Co0. 17Fe0. 08 high entropy intermetallics. Transactions of the Indian National Academy of Engineering, 9(3), 585-593.
[CrossRef] [Google Scholar] - Kunce, I., Polanski, M., & Bystrzycki, J. (2014). Microstructure and hydrogen storage properties of a TiZrNbMoV high entropy alloy synthesized using Laser Engineered Net Shaping (LENS). International Journal of Hydrogen Energy, 39(18), 9904-9910.
[CrossRef] [Google Scholar] - Tau, J., Siyasiya, C., Modiba, R., Mathe, N., Arthur, N., & Pityana, S. (2024). Investigation of hydrogen storage properties for high entropy alloys (Ti30V30Cr30Fe10 and Ti40V30Cr10Fe10Al10). In MATEC Web of Conferences (Vol. 406, p. 06008). EDP Sciences.
[CrossRef] [Google Scholar] - Kawasuso, A., Arashima, H., Maekawa, M., Itoh, H., & Kabutomori, T. (2009). TiCrV hydrogen storage alloy studied by positron annihilation spectroscopy. Journal of alloys and compounds, 486(1-2), 278-283.
[CrossRef] [Google Scholar] - Rousselot, S., Guay, D., & Roué, L. (2010). Synthesis of fcc Mg–Ti–H alloys by high energy ball milling: Structure and electrochemical hydrogen storage properties. Journal of Power Sources, 195(13), 4370-4374.
[CrossRef] [Google Scholar] - Dou, T., Wu, Z., Mao, J., & Xu, N. (2008). Application of commercial ferrovanadium to reduce cost of Ti–V-based BCC phase hydrogen storage alloys. Materials Science and Engineering: A, 476(1-2), 34-38.
[CrossRef] [Google Scholar] - Young, K., Ouchi, T., Nei, J., & Meng, T. (2015). Effects of Cr, Zr, V, Mn, Fe, and Co to the hydride properties of Laves phase-related body-centered-cubic solid solution alloys. Journal of Power Sources, 281, 164-172.
[CrossRef] [Google Scholar] - Chen, Z., Zhang, S., Jiang, X., Zheng, M., Yang, H., Sun, Y., & Li, G. (2025). Properties and applications of deuterium absorption-desorption in TiZrHfNbTa high entropy alloy. Journal of Nuclear Materials, 615, 155987.
[CrossRef] [Google Scholar] - Zhang, C., Song, A., Yuan, Y., Wu, Y., Zhang, P., Lu, Z., & Song, X. (2020). Study on the hydrogen storage properties of a TiZrNbTa high entropy alloy. International Journal of Hydrogen Energy, 45(8), 5367-5374.
[CrossRef] [Google Scholar] - Sleiman, S., & Huot, J. (2021). Effect of particle size, pressure and temperature on the activation process of hydrogen absorption in TiVZrHfNb high entropy alloy. Journal of Alloys and Compounds, 861, 158615.
[CrossRef] [Google Scholar] - Zhu, Y., Li, X., Yang, X. S., Chen, P., Tsui, G. C. P., Xu, Z. L., ... & Chan, K. (2023). Compositionally complex doping for low-V Ti-Cr-V hydrogen storage alloys. Chemical Engineering Journal, 477, 146970.
[CrossRef] [Google Scholar] - Jeyaraman, S., Danilov, D. L., Notten, P. H., Ragula, U. B. R., Ramalingam, V. V., & Manivasagam, T. G. (2025). Influence of Ni and Nb addition in TiVCr-based high entropy alloys for room-temperature hydrogen storage. Energies, 18(15), 3920.
[CrossRef] [Google Scholar] - Martínez, A., & Santos, D. D. (2012). Hydrogen absorption/desorption properties in the TiCrV based alloys. Materials Research, 15(5), 809-812.
[CrossRef] [Google Scholar] - Wang, L., Zhang, L., Lu, X., Wu, F., Sun, X., Zhao, H., & Li, Q. (2023). Surprising cocktail effect in high entropy alloys on catalyzing magnesium hydride for solid-state hydrogen storage. Chemical Engineering Journal, 465, 142766.
[CrossRef] [Google Scholar] - Strozi, R. B., Leiva, D. R., Huot, J., Botta, W. J., & Zepon, G. (2021). Synthesis and hydrogen storage behavior of Mg–V–Al–Cr–Ni high entropy alloys. International Journal of Hydrogen Energy, 46(2), 2351-2361.
[CrossRef] [Google Scholar] - Feng, R., Liaw, P. K., Gao, M. C., & Widom, M. (2017). First-principles prediction of high-entropy-alloy stability. npj Computational Materials, 3(1), 50.
[CrossRef] [Google Scholar] - Marques, F., Balcerzak, M., Winkelmann, F., Zepon, G., & Felderhoff, M. (2021). Review and outlook on high-entropy alloys for hydrogen storage. Energy & Environmental Science, 14(10), 5191-5227.
[CrossRef] [Google Scholar] - Pedroso, O. A., Botta, W. J., & Zepon, G. (2022). An open-source code to calculate pressure-composition-temperature diagrams of multicomponent alloys for hydrogen storage. International Journal of Hydrogen Energy, 47(76), 32582-32593.
[CrossRef] [Google Scholar] - Zlotea, C., Sow, M. A., Ek, G., Couzinié, J. P., Perrière, L., Guillot, I., ... & Sahlberg, M. (2019). Hydrogen sorption in TiZrNbHfTa high entropy alloy. Journal of Alloys and Compounds, 775, 667-674.
[CrossRef] [Google Scholar] - Kong, L., Cheng, B., Wan, D., & Xue, Y. (2023). A review on BCC-structured high-entropy alloys for hydrogen storage. Frontiers in Materials, 10, 1135864.
[CrossRef] [Google Scholar] - Yu, C. S., Ma, C. Y., Zheng, W. S., He, Y. L., Wang, J., Yuan, G., ... & Lu, X. G. (2025). Experimental investigation and thermodynamic modeling of Ti–V–Fe–Mn hydrogen storage alloy system. Journal of Iron and Steel Research International, 32(11), 4038-4051.
[CrossRef] [Google Scholar] - Nygård, M. M., Ek, G., Karlsson, D., Sørby, M. H., Sahlberg, M., & Hauback, B. C. (2019). Counting electrons-a new approach to tailor the hydrogen sorption properties of high-entropy alloys. Acta Materialia, 175, 121-129.
[CrossRef] [Google Scholar] - Zlotea, C., Bouzidi, A., Montero, J., Ek, G., & Sahlberg, M. (2022). Compositional effects on the hydrogen storage properties in a series of refractory high entropy alloys. Frontiers in Energy Research, 10, 991447.
[CrossRef] [Google Scholar] - Zepon, G., Leiva, D. R., Strozi, R. B., Bedoch, A., Figueroa, S. J. A., Ishikawa, T. T., & Botta, W. J. (2018). Hydrogen-induced phase transition of MgZrTiFe0. 5Co0. 5Ni0. 5 high entropy alloy. International Journal of Hydrogen Energy, 43(3), 1702-1708.
[CrossRef] [Google Scholar] - Savvotin, I., Berdonosova, E., Korol, A., Zadorozhnyy, V., Zadorozhnyy, M., Statnik, E., ... & Klyamkin, S. (2023). Thermochemical analysis of hydrogenation of Pd-containing composite based on TiZrVNbTa high-entropy alloy. Applied Sciences, 13(16), 9052.
[CrossRef] [Google Scholar] - Sahlberg, M., Karlsson, D., Zlotea, C., & Jansson, U. (2016). Superior hydrogen storage in high entropy alloys. Scientific reports, 6(1), 36770.
[CrossRef] [Google Scholar] - Park, K. B., Park, J. Y., Do Kim, Y., Choi, J. I., Im, H. T., Kang, J. W., ... & Park, H. K. (2021). Study on hydrogen absorption and surface properties of TiZrVNbCr high entropy alloy. Intermetallics, 130, 107074.
[CrossRef] [Google Scholar] - Bobet, J. L., & Darriet, B. (2000). Relationship between hydrogen sorption properties and crystallography for TiMn2 based alloys. International journal of hydrogen energy, 25(8), 767-772.
[CrossRef] [Google Scholar] - Zhou, D., Zheng, C., Zhao, D., Guo, S., Li, J., Cao, Z., & Zhang, Y. (2025). Structure, modification and application of TiMn2-based hydrogen storage alloys. Journal of Alloys and Compounds, 182266.
[CrossRef] [Google Scholar] - Pan, Q., Shen, H., Han, X., Zhu, J., Li, Z., Pan, T., ... & Lv, L. (2025). Effect of non-stoichiometric Mn and Cr on the hydrogen storage properties of Ti–Mn-based alloys. RSC advances, 15(22), 17153-17163.
[CrossRef] [Google Scholar] - Serrano, L. B., Moussa, M., Silva, G., Santos, S. F., Bobet, J. L., & Cardoso, K. R. (2026). Effect of Laves phase on hydrogen storage properties of BCC Ti-V-Nb–Cr–Mn high entropy alloys. Materials Science and Engineering: A, 149936.
[CrossRef] [Google Scholar] - Tsoumou, G. C., & Huot, J. (2026). Synergy between BCC and C14 phases on the hydrogenation properties of the two phases high-entropy alloy Ti16Zr4V35Cr15Ni10Mn20. International Journal of Hydrogen Energy, 206, 153384.
[CrossRef] [Google Scholar] - Li, Y., Zhang, Y., Shang, H., Gao, J., Zhang, W., & Ju, L. (2023). Hydrogen storage characteristics of Ti1. 04Fe0. 7Ni0. 1Zr0. 1Mn0. 1Pr0. 06 alloy treated by ball milling. Journal of Alloys and Compounds, 930, 167024.
[CrossRef] [Google Scholar] - Gosselin, C., Santos, D., & Huot, J. (2017). First hydrogenation enhancement in TiFe alloys for hydrogen storage. Journal of Physics D: Applied Physics, 50(37), 375303.
[CrossRef] [Google Scholar] - Niu, Y., Li, T., Yuan, Z., Han, Q., Han, Z., Liu, C., & Sun, Y. (2025). An overview of TiFe-based alloys for hydrogen storage: structure, element substitution and preparation. International Journal of Hydrogen Energy, 175, 151503.
[CrossRef] [Google Scholar] - Liu, H., Zhang, J., Sun, P., Zhou, C., Liu, Y., & Fang, Z. Z. (2022). Effect of oxygen on the hydrogen storage properties of TiFe alloys. Journal of Energy Storage, 55, 105543.
[CrossRef] [Google Scholar] - Sandrock, G. (1999). A panoramic overview of hydrogen storage alloys from a gas reaction point of view. Journal of alloys and compounds, 293, 877-888.
[CrossRef] [Google Scholar] - Padhee, S. P., Sakaki, K., Shukla, V., Hwang, K., Cho, Y. W., & Lee, Y. S. (2025). Optimizing hydrogen storage in TiFe–V alloys: influence of sample purity and heat treatment. International Journal of Hydrogen Energy, 138, 874-883.
[CrossRef] [Google Scholar] - Wu, G., Xia, S., Cai, H., Jiang, J., Li, X., Li, R., ... & Wang, X. (2026). Insights into the role of Fe in modulating the microstructure, hydrogen storage properties and thermodynamic properties of Ti–V based alloys. International Journal of Hydrogen Energy, 210, 153602.
[CrossRef] [Google Scholar] - Gosselin, C., & Huot, J. (2015). Hydrogenation properties of TiFe doped with zirconium. Materials, 8(11), 7864-7872.
[CrossRef] [Google Scholar] - Kwak, R. H., Jung, S., Park, T. Y., Park, S. M., & Park, H. K. (2025). Microstructural feature and hydrogen storage properties of TiFe0. 7Mn0. 2X0. 1 (X= V, Cr, Co, Ni, Cu) hydrogen storage alloy. International Journal of Hydrogen Energy, 113, 485-494.
[CrossRef] [Google Scholar] - Ma, X., Ding, X., Hu, S., Zhao, Y., Wang, Q., Zhang, Y., ... & Chen, R. (2025). Fast reaction behaviors of AB-type Ti-Fe-Mn hydrogen storage alloys from lattice modification and in-situ formed yttrium hydride. Chemical Engineering Journal, 507, 160801.
[CrossRef] [Google Scholar] - Endo, N., Suzuki, S., Goshome, K., & Maeda, T. (2017). Operation of a bench-scale TiFe-based alloy tank under mild conditions for low-cost stationary hydrogen storage. International journal of hydrogen energy, 42(8), 5246-5251.
[CrossRef] [Google Scholar] - Ko, W. S., Park, K. B., & Park, H. K. (2021). Density functional theory study on the role of ternary alloying elements in TiFe-based hydrogen storage alloys. Journal of Materials Science & Technology, 92, 148-158.
[CrossRef] [Google Scholar] - Liu, H., Zhang, J., Sun, P., Zhou, C., Liu, Y., & Fang, Z. Z. (2023). An overview of TiFe alloys for hydrogen storage: Structure, processes, properties, and applications. Journal of Energy Storage, 68, 107772.
[CrossRef] [Google Scholar] - Fadonougbo, J. O., Park, K. B., Na, T. W., Park, C. S., Park, H. K., & Ko, W. S. (2022). An integrated computational and experimental method for predicting hydrogen plateau pressures of TiFe1-xMx-based room temperature hydrides. İnternational journal of hydrogen energy, 47(40), 17673-17682.
[CrossRef] [Google Scholar] - Shang, H., Sheng, P., Li, J., Zhang, W., Zhang, X., Guo, S., ... & Zhang, Y. (2024). Characteristics of hydrogen storage of as-milled TiFe-based alloys. International Journal of Hydrogen Energy, 50, 190-200.
[CrossRef] [Google Scholar] - Han, Z., Wang, B., Zhai, T., Sun, H., Li, T., Yuan, Z., ... & Zhang, Y. (2025). Influence on the microstructure and hydrogen storage properties of Y–TiFe-based composites with transition metals via mechanical milling. Intermetallics, 177, 108603.
[CrossRef] [Google Scholar] - Zhang, X., Li, B., Wang, L., Xiong, W., Li, J., Zhou, S., ... & Yan, H. (2024). Hydrogen storage properties of AB2 type Ti–Zr–Cr–Mn–Fe based alloys. International Journal of Hydrogen Energy, 51, 193-201.
[CrossRef] [Google Scholar] - Nayebossadri, S., Greenwood, C. J., & Book, D. (2023). Evaluating some design criteria for TiFe-based ternary hydrogen storage alloys. Journal of Alloys and Compounds, 947, 169456.
[CrossRef] [Google Scholar] - Jain, P., Gosselin, C., & Huot, J. (2015). Effect of Zr, Ni and Zr7Ni10 alloy on hydrogen storage characteristics of TiFe alloy. International Journal of Hydrogen Energy, 40(47), 16921-16927.
[CrossRef] [Google Scholar] - Padhee, S. P., Roy, A., & Pati, S. (2021). Mechanistic insights into efficient reversible hydrogen storage in ferrotitanium. International Journal of Hydrogen Energy, 46(1), 906-921.
[CrossRef] [Google Scholar]
Cite This Article
TY - JOUR AU - Fu, Jingwen AU - Hu, Junpeng AU - Zhang, Siying AU - Sheng, Ningyue AU - Lu, Tao AU - Yuan, Chenchen AU - Zhang, Yao PY - 2026 DA - 2026/08/03 TI - Hydrogen Storage Behavior of Ti-Based High-Entropy Alloys: A Review JO - Journal of Advanced Materials Research T2 - Journal of Advanced Materials Research JF - Journal of Advanced Materials Research VL - 2 IS - 3 SP - 214 EP - 235 DO - 10.62762/JAMR.2026.769952 UR - https://www.icck.org/article/abs/JAMR.2026.769952 KW - Titanium-based high-entropy alloys KW - Hydrogen storage KW - BCC alloys KW - C14 Laves phase alloys KW - CsCl-type structures alloys KW - Structure–property relationships AB - Titanium-based high-entropy alloys (HEAs) have emerged as promising solid-state hydrogen storage materials owing to their structural stability, tunable thermodynamics, and rapid kinetics. This review systematically examines the hydrogen storage behaviour of Ti-based HEAs across three structural categories: body-centered cubic (BCC) single-phase alloys, C14 Laves phase alloys, and multiphase systems containing CsCl-type structures. The high-entropy effect, severe lattice distortion, sluggish diffusion, and cocktail effect collectively enable these alloys to overcome key limitations of conventional materials, including difficult activation, poor reversibility, and insufficient cycling stability. Critical roles of constituent elements—Ti, V, Cr, Zr, Fe, and Mn—in modulating phase stability, hydrogen affinity, and kinetics are discussed. Empirical design parameters such as mixing entropy, valence electron concentration, atomic size mismatch, and electronegativity difference guide composition optimization. Advanced processing techniques, including mechanical alloying, high-pressure torsion, and melt spinning, enhance microstructural control and performance. Recent integration of CALPHAD, density functional theory, and machine learning has accelerated alloy discovery and design. Despite significant progress, challenges persist in balancing capacity with reversibility, mitigating surface oxidation, and ensuring processing consistency. This review provides a comprehensive framework for understanding structure–property relationships in Ti-based HEAs and outlines future directions toward practical hydrogen storage applications. SN - 3070-5851 PB - Institute of Central Computation and Knowledge LA - English ER -
@article{Fu2026Hydrogen,
author = {Jingwen Fu and Junpeng Hu and Siying Zhang and Ningyue Sheng and Tao Lu and Chenchen Yuan and Yao Zhang},
title = {Hydrogen Storage Behavior of Ti-Based High-Entropy Alloys: A Review},
journal = {Journal of Advanced Materials Research},
year = {2026},
volume = {2},
number = {3},
pages = {214-235},
doi = {10.62762/JAMR.2026.769952},
url = {https://www.icck.org/article/abs/JAMR.2026.769952},
abstract = {Titanium-based high-entropy alloys (HEAs) have emerged as promising solid-state hydrogen storage materials owing to their structural stability, tunable thermodynamics, and rapid kinetics. This review systematically examines the hydrogen storage behaviour of Ti-based HEAs across three structural categories: body-centered cubic (BCC) single-phase alloys, C14 Laves phase alloys, and multiphase systems containing CsCl-type structures. The high-entropy effect, severe lattice distortion, sluggish diffusion, and cocktail effect collectively enable these alloys to overcome key limitations of conventional materials, including difficult activation, poor reversibility, and insufficient cycling stability. Critical roles of constituent elements—Ti, V, Cr, Zr, Fe, and Mn—in modulating phase stability, hydrogen affinity, and kinetics are discussed. Empirical design parameters such as mixing entropy, valence electron concentration, atomic size mismatch, and electronegativity difference guide composition optimization. Advanced processing techniques, including mechanical alloying, high-pressure torsion, and melt spinning, enhance microstructural control and performance. Recent integration of CALPHAD, density functional theory, and machine learning has accelerated alloy discovery and design. Despite significant progress, challenges persist in balancing capacity with reversibility, mitigating surface oxidation, and ensuring processing consistency. This review provides a comprehensive framework for understanding structure–property relationships in Ti-based HEAs and outlines future directions toward practical hydrogen storage applications.},
keywords = {Titanium-based high-entropy alloys, Hydrogen storage, BCC alloys, C14 Laves phase alloys, CsCl-type structures alloys, Structure–property relationships},
issn = {3070-5851},
publisher = {Institute of Central Computation and Knowledge}
}
Article Metrics
Publisher's Note
ICCK stays neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Rights and Permissions
Copyright © 2026 by the Author(s). Published by Institute of Central Computation and Knowledge. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/), which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made.
Portico