Perovskite-based solar cells have been researched for quite some time with the highest
reported values of power conversion efficiencies at around 30.9%. However, commonly …

In the present research article, the structural, electronic, and optical characteristics of a novel
perovskite halide, Mg3AsCl3, for a broad range of applications are thoroughly investigated …

This study presents a detailed investigation into optimizing the novel perovskite Mg 3 AsBr 3
through uniaxial stress for enhanced performance in solar and optoelectronic applications …

This study provides an in-depth investigation into the structural, electronic, mechanical, and
optical properties of Sr₃PnCl₃ (Pn= P, As, Sb) halide perovskites using QuantumATK tool …

This study employs first-principles calculations based on Density Functional Theory (DFT),
implemented in the Wien2k code, to investigate the structural, electronic, optical, elastic, and …

In this study, we delve into the potential of the halide perovskite material Ca3SbBr3 for solar
cell applications, using QuantumATK simulation tool. By employing DFT with both GGA-PBE …

Double perovskite halides (DPHs), specifically Cs 2 CuSbH 6 (where H= Cl, Br, and I), serve
as key components in the fabrication of flexible electronic devices, including solar cells …

We performed a thorough investigation of the structural, mechanical, electrical, and optical
characteristics of the lead-free perovskite Cs 2 LiInBr 6 by employing the Density Functional …

This study explores the impact of CaTiO 3 and LiNbO 3 crystals on the optical and dielectric
properties of polyvinylidene fluoride (PVDF) films. Our investigation employs UV–Visible …

In this report, the perovskite materials CsGeX 3 and CsGeX 2 X'(X and X'= Cl, Br, I) are
studied using density functional theory (DFT) and a time-dependent (TD)-DFT approach …