Ion migration mechanism in all-inorganic Ruddlesden–Popper lead halide perovskites by first-principles calculations
Shuai Zhao, Li Xiao
Abstract
the vacancy-hopping mechanism. However, intercalation provides an additional diffusion channel for halide interstitials, which promote in-plane diffusion in RP perovskites. These results reveal the migration properties of halide vacancies and interstitials in all-inorganic RP perovskites, which would be beneficial for exploring their novel optoelectronic applications.
Topics & Concepts
HalidePerovskite (structure)IonMaterials scienceMechanism (biology)Chemical physicsLead (geology)Inorganic chemistryMineralogyChemistryCrystallographyPhysicsGeologyOrganic chemistryQuantum mechanicsGeomorphologyPerovskite Materials and ApplicationsThermal Expansion and Ionic ConductivitySolid-state spectroscopy and crystallography