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

Rondiya, SR and Mali, SS and Roy, A and Inwati, GK and Rahane, GK and Jadhav, YA and Suresh, S and Debnath, T and Hong, CK and Dzade, NY (2023) Interfacial band offset engineering with barium-doping towards enhanced performance of all inorganic CsPbI2Br perovskite solar cells. In: Physical Chemistry Chemical Physics .

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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. © 2023 The Royal Society of Chemistry.

Item Type:	Journal Article
Publication:	Physical Chemistry Chemical Physics
Publisher:	Royal Society of Chemistry
Additional Information:	The copyright for this article belongs to Royal Society of Chemistry.
Keywords:	Barium; Barium compounds; Cell engineering; Conversion efficiency; Density functional theory; Electrons; Lead compounds; Perovskite; Perovskite solar cells; Semiconductor doping; Titanium dioxide, Ba-doped; Band-offset engineering; Barium doping; Conduction band offset; Conduction electrons; Inorganics; Low concentrations; Performance; Perovskite films; Photovoltaic devices, Bromine compounds
Department/Centre:	Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy)
Date Deposited:	04 Mar 2024 09:42
Last Modified:	04 Mar 2024 09:42
URI:	https://eprints.iisc.ac.in/id/eprint/84385

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