Issue 42, 2023

Interfacial band offset engineering with barium-doping towards enhanced performance of all inorganic CsPbI2Br perovskite solar cells

Abstract

This study investigates the incorporation of Ba2+ at a low concentration into CsPbI2Br, resulting in the formation of mixed CsPb1−xBaxI2Br perovskite films. Photovoltaic devices utilizing these Ba-doped CsPbI2Br (Ba–CsPbI2Br) perovskite films achieved a higher stabilized power conversion efficiency of 14.07% compared to 11.60% for pure CsPbI2Br films. First-principles density functional theory calculations indicate that the improved device performance can be attributed to the efficient transport of conduction electrons across the interface between Ba–CsPbI2Br and the TiO2 electron transporting layer (ETL). The Ba–CsPbI2Br/TiO2 interface exhibits a type-II staggered band alignment with a smaller conduction band offset (CBO) of 0.25 eV, in contrast to the CsPbI2Br/TiO2 interface with a CBO of 0.48 eV. The reduced CBO at the Ba–CsPbI2Br/TiO2 interface diminishes the barrier for conduction electrons to transfer from the Ba–CsPbI2Br layer to the TiO2 layer, facilitating efficient charge transport.

Graphical abstract: Interfacial band offset engineering with barium-doping towards enhanced performance of all inorganic CsPbI2Br perovskite solar cells

Supplementary files

Article information

Article type
Paper
Submitted
23 Jun 2023
Accepted
21 Jul 2023
First published
23 Aug 2023

Phys. Chem. Chem. Phys., 2023,25, 29050-29060

Interfacial band offset engineering with barium-doping towards enhanced performance of all inorganic CsPbI2Br perovskite solar cells

S. R. Rondiya, S. S. Mali, A. Roy, G. K. Inwati, G. K. Rahane, Y. A. Jadhav, S. Suresh, T. Debnath, C. K. Hong and N. Y. Dzade, Phys. Chem. Chem. Phys., 2023, 25, 29050 DOI: 10.1039/D3CP02935B

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