In order to search for good hydrogen storage materials, the structural, optoelectronic and
hydrogen storage properties of double perovskites KNaMg 2 F 6-x H x and KNaAe 2 H 6 …

The structural, electronic, elastic, optical, phonon, and thermo-physical properties of the
tetragonal X 2 CoH 5 (X= Ca, Sr) hydrogen storage compounds were thoroughly examined …

The present study utilizes First-principles calculations to investigate the physical properties
of Mn-based perovskite-type hydrides XMnH 3 (X= K, Li) including electronic, magnetic, and …

Abstract Structural, electronic, elastic, vibrational, thermodynamic, and optical properties of
Mg 2 XH 4 (X= Ni, Ru) compounds were investigated using density functional theory in the …

This work employs density functional theory calculations to investigate the structural,
hydrogen storage, mechanical, electronic, optical, and bonding characteristics of perovskite …

The increasing need for sustainable energy solutions emphasizes the significance of
effective hydrogen storage materials. This work provides a thorough analysis using density …

In this study, we employ density functional theory to investigate KXH3 (X= Ca, Sc, Ti, & Ni)
hydride perovskites for H2 storage applications. Lattice parameters calculated using GGA …

The primary objective of this paper is to characterize the perovskite-type hydrides KXH 3 (X=
Al, Cu) and explore their potential for hydrogen storage applications using density functional …

In this work, we explore the physical properties of RbXH3 (X= Cr, Zr) perovskite hydrides for
solid‐state hydrogen storage. The structural, mechanical, electronic, optical, and hydrogen …

The investigation of hydrogen storage properties of hydride perovskites have been emerged
as great research domain in recent times. The current study focuses on the first principles …