Perovskite materials play a backbone role in materials science to investigate various
applications including photocatalytic, photovoltaic, and hydrogen storage. Hydrogen storage …

Using first principles calculations, the hydrogen storage, mechanical, dynamic,
thermodynamic, electronic and optical properties of YCrH 3 (Y= Ca, Sr, Ba) materials are …

The potential of hydrogen as an energy source has positioned hydrogen storage as a
prominent research domain in the current era. Innovative perovskite compounds have …

The structure, mechanical, electronic, optical, thermodynamic properties and hydrogen
storage capacities of XInH 3 (X= Rb, Cs) are simulated using the first-principles method. The …

The strontium based hydrides XSrH 3 (X= Cs, Fr) are investigated in current study using first
principles calculations for hydrogen storage applications. The obtained lattice constants for …

This study addresses the hydrogen storage capabilities and mechanical, optoelectronic, and
thermoelectric features of double perovskite hydrides A 2 FeH 6 (A= Be, Mg). The structural …

Hydrogen storage remains a significant barrier to creating a sustainable hydrogen economy,
as many current materials fail to meet the high safety, efficiency, and capacity requirements …

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 …

Low cast hydride-perovskites are more efficient in power conversion and for energy storage.
Here in, structural investigation, electronic, mechanical and optical properties of hydrogen …

In this study, we employed first-principles methods to investigate the structural, mechanical,
electronic, optical, and thermodynamic properties of the double perovskite oxides Ba 2 …