Optoelectronic and thermoelectric properties of Cs2PtX6 (X=Cl, Br, I) for energy conversion applications: DFT calculations
Ghulam Mustafa, Sadaf Saba, Bisma Younas, N.A. Noor, Hosam O. Elansary, Sohail Mumtaz
Topics & Concepts
Materials scienceThermoelectric effectBand gapDensity functional theoryWIEN2kOptoelectronicsAbsorption edgeDirect and indirect band gapsThermal stabilityThermoelectric materialsElectronic structureThermal conductivityCondensed matter physicsComputational chemistryThermodynamicsChemical engineeringComposite materialLocal-density approximationChemistryPhysicsEngineeringPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin Films