Regensburg 2022 – wissenschaftliches Programm

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KFM: Fachverband Kristalline Festkörper und deren Mikrostruktur

KFM 20: Perovskite and Photovoltaics 2 (joint session HL/CPP/KFM)

KFM 20.1: Vortrag

Mittwoch, 7. September 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 Elsässer1,21Fraunhofer 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.

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