Influence of Fe on the Hydrogen Storage Properties of LaCeNi Alloys

Langmuir. 2023 May 2;39(17):6061-6068. doi: 10.1021/acs.langmuir.3c00093. Epub 2023 Apr 20.

Abstract

LaNi5 intermetallic compounds with a hexagonal CaCu5 type structure can react reversibly with hydrogen. The element substitutions in LaNi5 can significantly change the hydrogenation properties, allowing to tune them to a large extent. It could be very advantageous to partially replace Ni or La with other elements to reduce the cost of this alloy as well as the equilibrium pressure of absorption and desorption. The hydrogen storage properties of ball-milled AB5 alloys containing the elements La, Ce (A-rare elements) and Ni, Fe (B-transition metals) were studied in this paper. Although the substitution of Ni (atomic radius 1.49 Å) with Fe atom (atomic radius 1.56 Å) increased the unit cell volume from 86.4149 to 87.947 5 Å3 of the LaNi5 phase, its hydrogen storage capacity was still close to the value 1.4 wt %. The enthalpy (ΔH) of hydride formation for hydrogen absorption and desorption of the experimental alloys was in the range of 29-32.6 kJ/mol. A very favorable effect of Fe on the sorption properties was found in the significant reduction of the equilibrium pressure of absorption and desorption. These studied experimental Fe-containing alloys were able to store hydrogen at 300 K and with pressure under 0.1 MPa. The fastest sorption kinetics of hydrogen was found in alloys with FeNi phase particles located on the surface of the powder. However, if the FeNi phase was segregated at the grain boundaries, it acted as a barrier limiting the growth of the hydride phase. This led to a decrease of the hydride sorption kinetics.