Characterization and control of surfaces and interfaces are critical for photovoltaic and photocatalytic applications. In this work, we propose CH₃NH₃PbI₃ (MAPI) perovskite slab models whose energy levels, free of quantum confinement, explicitly consider the spin–orbit coupling and thermal motion. We detail methodological tools based on the...
-
January 29, 2024 (v1)PublicationUploaded on: January 31, 2024
-
January 29, 2024 (v1)PublicationAtomic-Scale Model and Electronic Structure of Cu₂O/CH₃NH₃ PbI₃ Interfaces in Perovskite Solar Cells
Cuprous oxide has been conceived as a potential alternative to traditional organic hole-transport layers in hybrid halide perovskite-based solar cells. Device simulations predict record efficiencies using this semiconductor, but experimental results do not yet show this trend. More detailed knowledge about the Cu₂O/perovskite interface is...
Uploaded on: January 31, 2024