Exploring Silicon-Based Ca2TiSiO6 Ordered Double Perovskite Oxides: a Comprehensive DFT Investigation of Structural, Dynamical, Mechanical Stability, and Optoelectronic Properties

Revealing the Structural, Elastic, Electronic, and Optical Properties of K2ScCuCl6 and K2YCuCl6: An In-Depth Exploration Using Density Functional Theory

“…One promising class of materials for solar cell applications is double perovskites. Double perovskites are compounds composed of two transition-metal cations arranged in a perovskite crystal structure. − These materials exhibit unique electronic and optical properties that can be tailored to enhance the efficiency and cost-effectiveness of solar cells . By understanding solar cells’ materials and design aspects, particularly those based on double perovskites, we aim to contribute to advancing solar cell technology, bringing us closer to achieving affordable and efficient solar energy conversion. , The conversion of solar energy into electrical energy has seen significant advancements, with the emergence of organic–inorganic perovskite materials.…”