A DFT study: Tailoring opto-electronic and thermoelectric performance of K2SeX6 (X = Cl, Br) double perovskites for solar cell advancements
Mumtaz Manzoor, Muhammad Waqas Iqbal, Iqra Sadique, Saikh Mohammad Wabaidur, Essam A. Al‐Ammar, I. Štich, Ramesh Sharma, Mohd Zahid Ansari
Topics & Concepts
Materials scienceBand gapSolar cellDirect and indirect band gapsThermoelectric effectSeebeck coefficientSemiconductorElectronic band structureDensity functional theoryAnisotropyElectronic structureCondensed matter physicsUltravioletOptoelectronicsMolecular physicsOpticsComputational chemistryChemistryPhysicsThermal conductivityThermodynamicsComposite materialPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography