The field of photocatalysis has demonstrated numerous advantages in the domains of
environmental protection, energy, and materials science. However, conventional …

This article explores changes in the structural, electronic, elastic, and optical properties of
the novel cubic Sr 3 BCl 3 (B= As, Sb) with increasing pressure. This research aims to …

Density functional theory is utilized to explore the effects of hydrostatic pressure on the
structural, electrical, optical, and mechanical properties of cubic halide perovskite KCaCl3 …

The ab initio calculations of structural, electronic, mechanical, and optical properties of
rubidium-based halide perovskites RbSnX3 (X= Cl, Br) have been performed under different …

This study discusses the feasibility of diversifying the scope of application of lead-free Sr 3
ZBr 3 (Z= As, Sb) as promising materials for their enhanced electronic, mechanical, optical …

This study investigates the impact of hydrostatic pressure on the structural, electronic,
optical, and mechanical properties of the cubic halide perovskite CsCaCl 3. The pressure …

Throughout this study, the effects of hydrostatic pressure on the physical properties of halide
perovskite CsCaBr 3 are explored using the density functional theory. The calculated lattice …

This study examines the physical properties of germanium-based halide perovskite through
Density Functional Theory (DFT) computations. The physical, optical, mechanical, and …

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

Intending to advance the use of halide-perovskites in technological applications, in this
research, we investigate the structural, electronic, optical, and mechanical behavior of metal …