A DFT and MD analysis to predict hydrogen storage, mechanical, thermodynamic, electronic, and optical characteristics of novel perovskite hydrides XZrH3 (X= Mg, Ca, and Sr)

International Journal of Hydrogen Energy 2026

View at publisher

Authors: Ahmadullah Hridoy, S. Mahmud Nabil, A.K.M. Ahsanul Habib

DOI: 10.1016/j.ijhydene.2026.153533

Cited by: 5

References: 66

Fields of Study & Subjects

Hydrogen Storage and Materials Thermal Expansion and Ionic Conductivity Magnesium Alloys: Properties and Applications

References 66