First-principles calculations have been utilized to investigate the photocatalytic degradation,
structural properties, electronic properties, population inversion, effective mass, redox …

Abstract Sr‐based 3d–5d double perovskite Sr2Fe0. 5Hf1. 5O6− δ (SFHO) oxide powders
were synthesized via the solid‐state reaction method, and their structural, dielectric …

Ferroelectric photovoltaics have recently captured attention as promising contenders to
conventional solar cells, attributed to their capacity to overcome the Shockley–Queisser limit …

In this work, we used spin-polarized density functional theory to investigate the change of
electronic and optical properties of wide band gap barium hafnate after incorporating …

In the context of eco-friendly renewable hydrogen energy production, it is imperative to
compute the band edges positions and the effect of dopant concentration on the energy …

Reducing the leakage current through the gate oxide is becoming increasingly important for
power consumption reduction as well as reliability in integrated circuits as the …

The electronic, optical, structural, elastic, and mechanical properties of cubic Strontium
Hafnium Oxide SrHfO 3 under variable stress conditions were examined using the …

The microstructure adjustment of Ni-based superalloys focuses heavily on the types of
precipitated phases because the failures of Ni-based superalloys often occur at γ-matrix/γ …

We report the structure, stability, electronic, optical, and photocatalytic properties of sodium
and potassium tantalates (NaTaO 3 and KTaO 3) by employing meta-GGA level DFT …

This study investigates the structural, electronic, optical, and elasto-mechanical properties,
and photocatalytic activity of strontium hafnate (SrHfO3) and cerium (Ce)-doped strontium …