Study on mechanical, electronic and optical properties of Pb-free double halide perovskites In2TiX6 (X = Cl, Br, I) for solar cells based on first-principles
Xian‐Hao Zhao, Yan-Lin Tang, Tian‐Yu Tang, Xin-Feng Diao, Li-Ke Gao, Quan Xie, Bin Shi, Yuan Li, Limin Lu
Topics & Concepts
Materials scienceBand gapSemiconductorPerovskite (structure)Direct and indirect band gapsHalideEnthalpyAbsorption (acoustics)Electronic structureOptoelectronicsSolar cellThermodynamicsCondensed matter physicsChemical engineeringInorganic chemistryComposite materialChemistryEngineeringPhysicsPerovskite Materials and ApplicationsChalcogenide Semiconductor Thin FilmsSolid-state spectroscopy and crystallography