The effects of the chemical composition on the structural, thermodynamic, and mechanical properties of all-inorganic halide perovskites
Pablo Sánchez-Palencia, Gregorio García, P. Wahnón, Pablo Palacios
Abstract
A systematic<italic>ab-initio</italic>study of all-inorganic perovskites with formula CsPb<sub>1−b</sub>Sn<sub>b</sub>(I<sub>1−x</sub>Br<sub>x</sub>)<sub>3</sub> has been performed, elucidating the connection of that composition with their structural, thermodynamics and mechanical properties.
Topics & Concepts
HalideThermodynamicsAb initioMaterials scienceChemical compositionAb initio quantum chemistry methodsChemistryPhysical chemistryCrystallographyInorganic chemistryMoleculePhysicsOrganic chemistryPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivityOrganic and Molecular Conductors Research