Ab initio insight into the structural, vibrational, electronic, optical, magnetic, and thermal properties of lead-free perovskite Cs3Sb2Cl9 for solar cell application
Zia Ur Rehman, Muhammad Awais Rehman, Hamna Chaudhry, Muhammad Awais
Topics & Concepts
Band gapMaterials scienceSolar cellDensity functional theoryPerovskite (structure)Ab initioAb initio quantum chemistry methodsCondensed matter physicsElectronic band structurePhononEnthalpyChemistryComputational chemistryThermodynamicsOptoelectronicsCrystallographyMoleculePhysicsOrganic chemistryPerovskite Materials and ApplicationsSolid-state spectroscopy and crystallographyChalcogenide Semiconductor Thin Films