Computational study of the structural, optoelectronic and thermoelectric properties of scandium-based ternary chalcogenides XScSe2 (X = Li, Rb) for applications in photovoltaic cell
Rabail Fatima, R.M. Arif Khalil, Muhammad Iqbal Hussain, Fayyaz Hussain
Topics & Concepts
Density functional theoryMaterials scienceTernary operationThermoelectric effectBand gapElectronic band structureCondensed matter physicsOptoelectronicsDirect and indirect band gapsDensity of statesChemistryPhysicsComputational chemistryThermodynamicsComputer scienceProgramming languageChalcogenide Semiconductor Thin FilmsAdvanced Thermoelectric Materials and Devices2D Materials and Applications