Fe-modified Mg2Ni alloys: Correlating structural transformations, oxidation behavior, and hydrogen storage properties
Journal of Solid State Chemistry, cilt.362, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 362
- Basım Tarihi: 2026
- Doi Numarası: 10.1016/j.jssc.2026.126192
- Dergi Adı: Journal of Solid State Chemistry
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Chemical Abstracts Core, Chimica, Compendex, INSPEC, Academic Search Ultimate (EBSCO), Engineering Source (EBSCO)
- Anahtar Kelimeler: DFT, Hydrogen storage, Melt-spinning, Mg-based alloys, Ni-MH battery, Structural properties, XPS
- Karadeniz Teknik Üniversitesi Adresli: Evet
Özet
This study examines the structural, thermal, surface, and hydrogen storage properties of melt-spun Mg2NiFex (x = 0.05, 0.1, and 0.2 at%) ribbons. XRD, SEM, and TEM confirmed Mg2Ni and MgNi2 phases, with (011) lattice planes observed in all samples. SEM revealed cellular–dendritic features, while HRTEM showed nanocrystalline domains and stacking faults. DTA indicated a decrease in melting onset temperature with increasing Fe content, and TGA revealed ∼7–8% weight gain. XPS analysis showed Mg-rich oxidation with suppressed Fe and Ni signals due to surface segregation. Hydrogen sorption was addressed using PCT and electrochemical measurements, showing maximal hydrogen absorption capacity of 3.49 wt% for x = 0.05. Complementary DFT calculations confirmed preferential Fe substitution in Mg2Ni, its effect on electronic structure, and its role in tuning thermodynamic stability and hydrogen affinity. These results demonstrate that controlled Fe doping can effectively modulate the microstructure, surface chemistry, and hydrogen storage behavior of Mg2Ni-based alloys.