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

Abstract

Abstract The relation between the effective hydrogen storage capacity C H 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 T ln C H = 0.45922 T + 5044.8 (Δ X ) 2 + 1250.6 δ 2 −285.80 n 2/3 . The factor of out-layer electrons has the largest effect on the C H 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 n 2/3 values of Ti-V-Cr alloys are between 1.98 and 2.14, δ 2 values are between 0.255 and 0.288 and (Δ X ) 2 values are between 0.0638 and 0.0765.