A DFT investigation on structural, electronic, magnetic, optical, elastic and hydrogen storage properties of Ru-based hydride-perovskites XRuH <sub>3</sub> (X = Cr, V, Ni)
Muhammad Mubeen Parvaiz, Adnan Khalil, Muhammad Bilal Tahir, Sania Ayub, Tarik E. Ali, Hafiz Tariq Masood
Abstract
This study is the first to investigate the physical properties of ruthenium-based hydride perovskites, specifically XRuH 3 (where X = Cr, V, Ni). There is currently no existing literature on these compounds.
Topics & Concepts
HydrideHydrogen storageRutheniumMaterials scienceHydrogenPhysical chemistryCrystallographyInorganic chemistryChemistryCatalysisOrganic chemistryHydrogen Storage and MaterialsThermal Expansion and Ionic ConductivityAdvanced Battery Materials and Technologies