Design and synthesis of a magnesium alloy for room temperature hydrogen storage. (1st May 2018)

• Record Type: Journal Article
• Authors: Edalati, Kaveh; Uehiro, Ryoko; Ikeda, Yuji; Li, Hai-Wen; Emami, Hoda; Filinchuk, Yaroslav; Arita, Makoto; Sauvage, Xavier; Tanaka, Isao; Akiba, Etsuo; Horita, Zenji
• Is Part Of: Acta materialia. Volume 149(2018)
• Page Start: 88
• Page End: 96
• Publication Date: 2018-05-01
• Subjects: Metal hydrides -- Hydrogen storage -- First-principles calculations -- Mechanical alloying -- Severe plastic deformation (SPD); Materials -- Periodicals; Materials science -- Periodicals; Materials -- Mechanical properties -- Periodicals; Metallurgy -- Periodicals; Chemistry, Inorganic -- Periodicals; 620.112
• DOI: 10.1016/j.actamat.2018.02.033
• Languages: English
• ISSNs: 1359-6454

Abstract

Abstract: Safe and high-density storage of hydrogen is a key issue for development of hydrogen as a clean energy carrier. Hydride-forming materials are potential candidates for safe and high-density storage of hydrogen and among them; Mg-based alloys are the most investigated ones due to their high gravimetric capacity. The key issue for practical application of Mg-based alloys is that they do not desorb hydrogen without heating due to the strong hydrogen binding energy. In this study, we employed first-principles calculations to design a Mg-based alloy with a low hydrogen binding energy and room temperature hydrogen storage properties. The designated material, highly-homogenous Mg4 NiPd with a BCC-based CsCl-type structure, was successfully synthesized by severe plastic deformation via the high-pressure torsion (HPT) method. The alloy exhibited reversible hydrogenation and dehydrogenation at room temperature with high phase stability. This discovery introduces a rational approach to design and synthesize new alloys for hydrogen storage using the concept of binding energy engineering. Graphical abstract: Image 1