Tuning charge carrier dynamics through spacer cation functionalization in layered halide perovskites: an <i>ab initio</i> quantum dynamics study
Pabitra Kumar Nayak, Dibyajyoti Ghosh
Abstract
Fluorination of spacer cations compacts the layered halide perovskites, weakens the electron–phonon interactions, and suppresses the non-radiative charge carrier recombination processes.
Topics & Concepts
HalideMaterials scienceCharge carrierAb initioChemical physicsCharge (physics)Ab initio quantum chemistry methodsElectronPerovskite (structure)Surface modificationPhononMolecular physicsCondensed matter physicsPhysical chemistryInorganic chemistryCrystallographyOptoelectronicsChemistryPhysicsQuantum mechanicsMoleculePerovskite Materials and ApplicationsSolid-state spectroscopy and crystallography2D Materials and Applications