In recent years, metal halide perovskites (MHPs) have attracted attention as semiconductors
that achieve desirable properties for optoelectronic devices. However, two challenges …

Perovskite oxides with general composition ABO3 are a large group of inorganic materials
that can contain a variety of cations from all parts of the Periodic Table and that have diverse …

This study has explored numerous physical properties of CaPd 3 Ti 4 O 12 (CPTO) and
CaPd 3 V 4 O 12 (CPVO) quadruple perovskites employing the density functional theory …

In the present study, the pseudopotential plane-wave (PP-PW) pathway in the scheme of
density functional theory (DFT) is utilized to investigate the various unexplored physical …

Abstract Ordered double perovskite La2FeCrO6 nanoparticles (NPs) were synthesized via
the citrate auto-combustion technique. The prepared sample was characterized by X-ray …

Density functional theory (DFT) based first-principles calculations using GGA+ U method
have been performed for the first time to investigate elastic, electronic, optical …

We utilized the WIEN2K code within the DFT framework to comprehensively investigate Ba 2
WBˈO 6 (Bˈ= Mn, Fe, Co, Ni, Zn) double perovskite compounds. Structural stability …

The hydrothermal method is an interesting synthesis process for obtaining new phases.
Many bismuth oxides with trivalent (Bi3+), pentavalent (Bi5+), and mixed-valence bismuth …

In this study, Co-doped NaBiO 3 nanosheets with surface confined Co reactive sites were
prepared and utilized to catalyze peroxymonosulfate (PMS) activation and further degrade …

Theoretical investigation of the elastic, electronic, superconducting, and thermal properties
of newly synthesized cubic perovskite superconductor (Ba 0.54 K 0.46) 4 Bi 4 O 12 (BKBO) …