engleski

Structural and hydrogen sorption properties of SmNi5-xGax system – an experimental and theoretical study

A series of ternary alloys of general formula SmNi5-xGax was prepared by melting stoichiometric mixtures of Sm, Ni and Ga in arc furnace under argon. From X-ray powder diffraction lattice parameters are determined and it is found that hexagonal structure of SmNi5 (P6/mmm space group) is retained for all considered values of x. Hydrogen absorption ability and thermodynamic quantities of the systems are determined by pressure-composition desorption isotherms. The obtained properties are compared with those of previously reported SmNi5 and SmNi4Ga. DFT calculations were performed for selected members of the system and the results are discussed with regard to experiment.

Metal hydrides; DFT calculations

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