Comprehensive structural and hydrogenation analysis of arc-melted and melt-spun Mg1.95Ag0.05Ni: Experimental and theoretical approaches

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SÜNBÜL S. E., İÇİN K., ÖZTÜRK S., Ilić M. M., Batalović K.

International Journal of Minerals, Metallurgy and Materials, vol.33, no.5, pp.1410-1423, 2026 (SCI-Expanded, Scopus)

  • Publication Type: Article / Article
  • Volume: 33 Issue: 5
  • Publication Date: 2026
  • Doi Number: 10.1007/s12613-026-3434-5
  • Journal Name: International Journal of Minerals, Metallurgy and Materials
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Compendex, INSPEC, Natural Science Collection (ProQuest), Earth, Atmospheric, & Aquatic Science Collection (ProQuest), Materials Science & Engineering Collection (ProQuest), Technology Collection (ProQuest)
  • Page Numbers: pp.1410-1423
  • Keywords: arc-melted, density functional theory, electronic structure, hydrogen storage, magnesium-based alloys, melt-spun, silver addition
  • Open Archive Collection: AVESIS Open Access Collection
  • Karadeniz Technical University Affiliated: Yes

Abstract

This study investigates the impact of silver (Ag) substitution on the microstructure and hydrogen storage properties of an Mg2Ni-based alloy. Density functional theory (DFT) calculations as well as universal machine learning interatomic potentials are used to explore how Ag substitution leads to a decreased hydride desorption energy. Experimental analysis of arc-melted Mg1.95Ag0.05Ni alloys and melt-spun Mg1.95Ag0.05Ni ribbons reveals structural changes between the two different production methods. X-ray diffraction (XRD), scanning electron microscope (SEM), differential thermal analysis (DTA), thermogravimetric analysis (TGA), and transmission electron microscope (TEM) confirm refined microstructures. In addition, hydrogen properties of melt-spun ribbons were measured with Sievert type and electrochemical device. The Sieverts-type measurement demonstrates about 3wt% H2 absorption and desorption, while electrochemical measurements show an initial discharge capacity of 80 mAh/g, with gradual fading over cycles. X-ray photoelectron spectroscopy (XPS) unambiguously confirms Ag substitution and provides detailed insight into surface oxidation processes induced by prolonged exposure to ambient conditions. The results demonstrate that Ag incorporation plays a key role in tailoring the microstructure and significantly enhancing the hydrogen storage performance.