Regensburg 2022 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 32: Perovskite and Photovoltaics 4 (joint session HL/CPP/KFM)

CPP 32.1: Talk

Wednesday, September 7, 2022, 15:00–15:15, H34

Electronic structure analysis of the interface of a TiO₂ electron-transport layer with a perovskite CsPbI₃ photovoltaic absorption layer — •Amirhossein Bayani¹, Julian Gebhardt¹, and Christian Elsässer^1,2 — ¹Fraunhofer Institute for Mechanics of Materials IWM, Wöhlerstrasse 11, 79108 Freiburg, Germany — ²Freiburg Materials Research Center (FMF), Albert-Ludwigs-University Freiburg, 79104 Freiburg, Germany

Lead-based hybrid perovskite halides are currently the most promising light absorbing materials to supplement or even replace Si in next generation solar cells. With intensive research of the bulk material properties in recent years, a strong interest emerges in studying the interfaces to the contact layers in order to reach the final boost of solar efficiency in devices. Here, we study the interface of CsPbI₃ with TiO₂ as model interface for a perovskite with an electron transport layer. In particular, we investigate the rutile-TiO₂(001)[001] / CsPbI₃(001)[100] interface using self-energy corrected density functional theory. By this state-of-the art modeling technique, we analyze the alignment of work-functions and investigate the band alignment at the interface.