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

Biliškov, Nikola; Miletić, Goran I.; Drašner, Antun (2013) Structural and hydrogen sorption properties of SmNi5−xGax system – an experimental and theoretical study. International Journal of Hydrogen Energy, 38 (27). pp. 12213-12222. ISSN 0360-3199

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Abstract

A series of ternary alloys of general formula SmNi5−xGax (x = 0.25, 0.5, 1.5, 2, 2.5) was prepared by melting 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 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.

Item Type:

Article

Additional Information:

NOTICE: this is the author’s version of a work that was accepted for publication in International Journal of Hydrogen Energy. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in International Journal of Hydrogen Energy, [VOL 38, ISSUE 27, (2013)] DOI: ijhydene.2013.05.154

Uncontrolled Keywords:

hydrogen storage; intermetallic compounds; metal hydrides; Samarium; DFT; pressure-composition isotherm

Subjects:

NATURAL SCIENCES > Chemistry > Inorganic Chemistry

Divisions:

Division of Materials Chemistry

Projects: