Effects of Bond Parameters on Hydrogen Storage Capacity of Ti-V-Cr BCC Phase Alloys

The relation between the effective hydrogen storage capacity CH of Ti-V-Cr alloys and out-layer electrons, atomic diameter difference, electronegativity difference has been studied. It is shown that their relation can be expressed as TlnCH = 0.45922T + 5044.8 (ΔX)2 + 1250.6 δ2 −285.80n2/3. The factor of out-layer electrons has the largest effect on the CH of Ti-V-Cr alloys, while the factor of electronegativity difference has the smallest effect among the three bond parameters. The effective hydrogen storage capacity of Ti-V-Cr alloys is greater than 2.0wt% when n2/3 values of Ti-V-Cr alloys are between 1.98 and 2.14, δ2 values are between 0.255 and 0.288 and (ΔX)2 values are between 0.0638 and 0.0765.