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 structural, mechanical, optical, thermo-physical, and electronic properties of the
monoclinic XGaH 5 (X= Ba, Ca, and Mg) used as hydrogen storage material were …

Hydrogen storage is of great interest to researchers due to its renewable and clean energy
properties. Therefore, there is a continuous search for innovative compounds that can …

Binary metallic carbides belong to technologically prominent class of compounds. Present
work theoretically explores the structural, mechanical, optoelectronic, and some thermal …

Although phase-change random-access memory (PCRAM) is a promising next-generation
nonvolatile memory technology, challenges remain in terms of reducing energy …

The development of high-activity and low-price cathodic catalysts to facilitate the
electrochemically sluggish O2 reduction reaction (ORR) is very important to achieve the …

Semiconductors have been studied as the most promising thermoelectric materials for the
past decades due to their high Seebeck coefficient. Semimetals usually have a small …

SnTaS 2 is a layered topological semimetal exhibiting type-II low transition temperature
superconductivity. Except some charge transport, electronic and superconductivity related …

The fundamental physical properties of perovskite materials are crucial for technological
applications in a variety of disciplines. Therefore, this study explores the pressure effects on …

Pressure dependent physical properties of binary SnS compound have been studied using
the density functional theory based methodology. The computed elastic constants reveal that …