4.5 Article

Quantitative Evaluations of Hydrogen Diffusivity in V-X (X = Cr, Al, Pd) Alloy Membranes Based on Hydrogen Chemical Potential

Journal

MEMBRANES
Volume 11, Issue 1, Pages -

Publisher

MDPI
DOI: 10.3390/membranes11010067

Keywords

hydrogen permeation; vanadium; mobility; chemical potential; first principle calculation

Funding

  1. CREST project of the Japan Science and Technology Agency (JST) [JPMJCR1443]
  2. KAKENHI of the Japan Society for the Promotion of Science (JSPS) [JP19H02454]

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Vanadium (V) alloy membranes have higher hydrogen permeability but poor resistance to hydrogen-induced embrittlement. Adding Cr and Fe can enhance the mobility of hydrogen atoms, while the additions of Al and Pd decrease hydrogen diffusivity. For V-based alloy membranes, Fe and Cr are more suitable alloy elements compared with Al and Pd in terms of hydrogen diffusivity.
Vanadium (V) has higher hydrogen permeability than Pd-based alloy membranes but exhibits poor resistance to hydrogen-induced embrittlement. The alloy elements are added to reduce hydrogen solubility and prevent hydrogen-induced embrittlement. To enhance hydrogen permeability, the alloy elements which improve hydrogen diffusivity in V are more suitable. In the present study, hydrogen diffusivity in V-Cr, V-Al, and V-Pd alloy membranes was investigated in view of the hydrogen chemical potential and compared with the previously reported results of V-Fe alloy membranes. The additions of Cr and Fe to V improved the mobility of hydrogen atoms. In contrast, those of Al and Pd decreased hydrogen diffusivity. The first principle calculations revealed that the hydrogen atoms cannot occupy the first-nearest neighbor T sites (T1 sites) of Al and Pd in the V crystal lattice. These blocking effects will be a dominant contributor to decreasing hydrogen diffusivity by the additions of Al and Pd. For V-based alloy membranes, Fe and Cr are more suitable alloy elements compared with Al and Pd in view of hydrogen diffusivity.

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