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Investigating the physical characteristics of inorganic cubic perovskite CsZnX3 (X = F, Cl, Br, and I): An extensive ab initio study towards potential applications in photovoltaic perovskite devices

Akram Aqili, Anas Y. Al‐Reyahi, Said M. Al Azar, Saber Sâad Essaoud, Mohammed Elamin Ketfi, Mufeed Maghrabi, Nabil Al-Aqtash, Ahmad Mufleh

2024Computational and Theoretical Chemistry15 citationsDOI

Topics & Concepts

ChemistrySeebeck coefficientBand gapThermoelectric effectDebye modelAb initioSemiconductorPerovskite (structure)Figure of meritDirect and indirect band gapsCondensed matter physicsAb initio quantum chemistry methodsAtmospheric temperature rangeThermodynamicsCrystallographyOptoelectronicsMaterials sciencePhysicsMoleculeOrganic chemistryPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivityHeusler alloys: electronic and magnetic properties
Investigating the physical characteristics of inorganic cubic perovskite CsZnX3 (X = F, Cl, Br, and I): An extensive ab initio study towards potential applications in photovoltaic perovskite devices | Litcius