The present study investigates the physical properties of AeSiH 3 (Ae= Li, K, Na, Mg)
hydrides perovskites with their hydrogen storage capability. All the materials are thermally …

Based on the first-principles, the hydrogen storage, mechanical, electronic, optical,
thermodynamic and kinetic properties of XPtH 3 (X= Li, Na, K, Rb) perovskites are …

The capability of hydrogen to be an energy source has made the hydrogen storage as one
of the most investigated research fields during the recent years, and novel perovskite …

Hydrogen energy has attracted a lot of interest as a renewable and sustainable energy
source, but there are a few technical impediments associated with its storage. Solid-state …

Based on density functional theory, the present study used the Cambridge serial total energy
package code to figure out the structural, electronic, magnetic, optical, and mechanical …

This study utilizes the first-principles modelling approach based on the density functional
theory (DFT) framework to investigate the structural, mechanical, and optoelectronic …

Density functional theory (DFT) was employed to perform an ab-initio study of new hydrogen
storage materials NaXH 3 (X= Ti, Cu) using the Generalized Gradient Approximation (GGA) …

The present study investigates some physical properties of KGaH3 and LiGaH3 whose
lattice parameters and band gap match well with a previous study involving Ga‐based …

The utilization of hydrogen energy has garnered significant attention as a viable and
environmentally friendly energy alternative. However, there exist some technological …

Being a renewable and sustainable energy carrier, hydrogen energy has garnered great
interest having some technical barriers related to storage aspects. Hydride materials exhibit …