A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A<sub>2</sub>YAuI<sub>6</sub> (A = Rb, Cs) for solar cell and renewable energy applications
Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera, Mumtaz Manzoor, Ramesh Sharma, A. J. A. Moayad
Abstract
The physical properties of A 2 YAuI 6 (A = Rb, Cs) perovskite have been investigated in the current work using DFT calculations. Our computed results show that these halides are best for thermoelectric and solar cell applications.
Topics & Concepts
HalidePerovskite (structure)Renewable energyThermoelectric effectOptoelectronicsSolar cellMaterials scienceSolar energyEngineering physicsElectrical engineeringChemistryInorganic chemistryCrystallographyPhysicsEngineeringThermodynamicsPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography