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Research Article

Multidimensional regulation of Ti-Zr-Cr-Mn hydrogen storage alloys via Y partial substitution

Haixiang Xiu1,2, Wanqiang Liu1( ), Dongming Yin2,3( ), Nan Ding1,2, Wenfeng Qiao1,2, Shaolei Zhao2,3, Long Liang2,3, Cong Liu1,2, Shaohua Wang5,6, Qingshuang Wang7, Bingbing Chen4( ), Limin Wang2,3, Yong Cheng2( )
School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022, China
State Key Laboratory of Rare Earth Resources Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences (CAS), Changchun 130022, China
School of Applied Chemistry and Engineering, University of Science and Technology of China, Hefei 230026, China
Department of Energy Science and Engineering, Nanjing Tech University, Nanjing 211816, China
National Engineering Research Center of Nonferrous Metals Materials and Products for New Energy, GRINM Group Co., Ltd., Beijing 100088, China
GRIMAT Engineering Institute Co., Ltd., Beijing 101407, China
College of Life Science and Technology, Changchun University of Science and Technology, Changchun 130022, China
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Graphical Abstract

Partial substitution of rare earth Y element can effectively improve the activation performance, kinetics, and storage capacity of the alloy and realize the multi-dimensional control of hydrogen storage performance.

Abstract

High density and safe storage of hydrogen are the preconditions for the large-scale application of hydrogen energy. Herein, the hydrogen storage properties of Ti0.6Zr0.4Cr0.6Mn1.4 alloys are systematically studied by introducing Y element instead of Ti element through vacuum arc melting. After the partial substitution of Y, a second phase of rare earth oxide is added in addition to the main suction hydrogen phase, C14 Laves phase. Thanks to the unique properties of rare earth elements, the partial substitution of Y can not only improve the activation properties and plateau pressure of the alloys, but also increase the effective hydrogen storage capacity of the alloys. The comprehensive properties of hydrogen storage alloys are improved by multidimensional regulation of rare earth elements. Among them, Ti0.552Y0.048Zr0.4Cr0.6Mn1.4 has the best comprehensive performance. The alloy can absorb hydrogen without activation at room temperature and 5 MPa, with a maximum hydrogen storage capacity of 1.98 wt.%. At the same time, it reduces the stability of the hydride and the enthalpy change value, making it easier to release hydrogen. Through theoretical analysis and first-principle simulation, the results show that the substitution of Y element reduces the migration energy barrier of hydrogen and the structural stability of the system, which is conducive to hydrogen evolution. The alloy has superior durability compared to the original alloy, and the capacity retention rate was 96.79% after 100 hydrogen absorption/desorption cycles.

Keywords

AB2-type hydrogen storage alloyrare earth elementfirst-principles simulationmultidimensional regulation

Electronic Supplementary Material

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Nano Research
Volume 17 Issue 5,
May 2024
Pages 4211-4220
DOI: 10.1007/s12274-023-6389-0
Cite this article:
Xiu H, Liu W, Yin D, et al. Multidimensional regulation of Ti-Zr-Cr-Mn hydrogen storage alloys via Y partial substitution. Nano Research, 2024, 17(5): 4211-4220. https://doi.org/10.1007/s12274-023-6389-0
Topics:
Energy utilizationHydrogen storage alloys

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Received: 19 October 2023
Revised: 20 November 2023
Accepted: 30 November 2023
Published: 24 January 2024
© Tsinghua University Press 2023
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