The stability, electronic, optical and thermodynamic properties of X 3 OI (X= Na, K, Rb) have
been calculated by first principles. The Birch-Murnaghan method was used to fit the optimal …

The current study investigated the structural, mechanical, electronic, and optical properties
of new perovskite hydrides XSnH 3 (X= Rb, Cs, and Fr) for hydrogen storage applications …

Perovskite materials can be considered as the backbone of photovoltaic industry owing to
their remarkable electronic, optical, mechanical and electrical properties. In this work, the …

This study utilizes the first-principles modelling approach based on the density functional
theory (DFT) framework to investigate the structural, mechanical, and optoelectronic …

The present work represents the study of numerical simulation of Cesium Titanium (IV)
Halide thin film based lead-free Perovskite Solar Cells (PSCs) using Solar Cell Capacitance …

Even though lead halide perovskites have outstanding physiochemical properties and
improved power conversion efficiency, most of these compounds threaten their future …

This paper presents a thorough first-principles investigation of the physical attributes of the
double perovskite (DP) oxide, Sr2ScBiO6. The calculated lattice constant and the bond …

The clean and green energy is a merging technology of advanced era to achieve the
demands of energy requirements. For this purpose, the double perovskites Rb 2 AgAlZ 6 (Z …

This study communicates the theoretical investigations on the cubic double perovskite
compounds Cs2XCrCl6 (X= K or Na). Density functional theory (DFT) calculations were …

Rechargeable magnesium-ion batteries have garnered with great interest because
abundant resources of magnesium and their potential for achieving high energy density …