Engineering Ti–Cr–Mo-based alloys for hydrogen storage: Fe doping as a strategy for improved reversibility and stability

Hongmei Cai, Bang Dou, Lufeng Xue, Bo Cheng, Yumeng Zhao*, Di Wan*, Yunfei Xue*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)

Abstract

Ti–Cr–Mo-based multi-principal element alloys have emerged as promising candidates for hydrogen storage due to their high capacity and cost-effectiveness. However, their practical application is limited by challenges such as low reversible hydrogen release and poor cyclic stability. In this study, we developed a body-centered cubic (BCC) alloy, Ti40Cr48Mo10Fe2, which demonstrates a reversible capacity of 2.59 wt% at 303 K. The doping of Fe reduces the dehydrogenation enthalpy ΔH to 32.4 kJ/mol, which is notably more favorable than that of most other reported Ti–Cr–Mo-based alloys. Additionally, the mechanism of capacity attenuation was explored. The results reveal that hydrogen-induced phase transformation leads to the accumulation of stress and strain, which increases the energy barrier for hydrogen diffusion and release. Moreover, the formation of irreversible Ti hydrides plays a key role in capacity loss. These findings offer strategies for developing hydrogen storage alloys with long service life and reduced costs.

Original languageEnglish
Pages (from-to)499-510
Number of pages12
JournalInternational Journal of Hydrogen Energy
Volume128
DOIs
Publication statusPublished - 15 May 2025

Keywords

  • Body-centered cubic
  • Cyclic performance
  • Hydrogen storage alloy
  • Multi-principal element alloy
  • TiCrMo alloy

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