This study uses DFT first-principles calculations to explore the structural, thermodynamic,
electronic, phonon, mechanical, elastic, and optical properties of calcium-based halide …

In the twenty-first century, a key focus is the search for materials that hold promise for energy
generation and storage. Solar energy, with its abundant availability and minimal impact on …

Due to their potential applications for optoelectronic and thermoelectric devices, Li-based
double perovskites (DPs) have been widely investigated. In current article, we theoretically …

In this work, a novel structure of all inorganic PSC (TCO/TiO 2/CsGeI 3/MoO 3/Back Metal
contact) has been numerically investigated and optimized. Initially, we simulated the …

Double perovskites are emerging materials for solar cell and thermoelectric applications due
to their environmentally friendly nature, high stability, and excellent functioning. In the …

Due to their improved Power Conversion Efficiency (PCE), reduced cost, and simplified
manufacturing, perovskite solar cells (PSCs) have recently become increasingly appealing …

The objective of this research was to develop lead-free double-perovskite materials with
adjustable optical bandgaps for improved optoelectronic performance. By experimental …

Cesium-based double perovskites exhibit promising optoelectronic and thermoelectric
potential, making them appropriate candidates for efficient and stable renewable energy …

Production of oxygen and hydrogen energy through suited photocatalysts by water splitting
is the main issue in the modern age. In this regard, the double perovskite Dion-Jacobson …

As alternatives to lead-based halide perovskite materials, the lead-free halide double-
perovskite materials have many advantages but often show wide indirect band gaps and …