Hydrogen is becoming a promising and sustainable energy carrier with the advantages of
high energy density, abundant resources, possible clean generation and zero emission …

New perovskite-type hydrides were first time investigated under consideration of different
physical properties for the optoelectronics and hydrogen storage applications by using the …

Over the past decade, perovskites have received considerable attention because of their
record power conversion efficiency (25.7%) in solar cells. These materials have also …

In this work, the density functional theory is used to investigate the structural, mechanical,
electronic, dynamic, thermodynamic, optical and hydrogen storage properties of XLiH 3 (X …

Hydrogen storage is an urgent issue for mobile applications, to overcome this issue solid
materials have a potential role for hydrogen storage applications. Moreover, the perovskite …

Hydrogen storage is captivating to research interest as it has renewable, green, and clean
energy properties. Therefore, continual research has been conducted to find suitable and …

Despite the challenges of developing efficient photocatalysts for water splitting, we
demonstrate that MgSiO 3 perovskite oxide, under applied external stress, significantly …

Under varying hydrostatic pressures ranging from 0 to 150 GPa, first-principles calculations
were conducted to investigate the structural, electronic, bonding, optical, elastic, and …

In this study, the physical properties of the perovskite hydrides CsXH 3 (X= Ca, Sr and Ba)
were explored using density functional theory (DFT) to assess their suitability for …

The first-principles study employed on chromium-based hydride XCrH 3 (X: Na, K) is the first
time studied and investigated different physical properties incorporated for optoelectronics …