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A computational investigation of ZnOS buffer layer integration for improved performance of perovskite solar cell

Islam, Aqsa; Haider, Syed Zulqarnain; Wang, Mingqing; Anwar, Hafeez; (2025) A computational investigation of ZnOS buffer layer integration for improved performance of perovskite solar cell. Optical and Quantum Electronics , 57 , Article 627. 10.1007/s11082-025-08559-5.

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Abstract

In this work, the SCAPS-1D modeling program was used to study the impact of an inorganic buffer layer (BL) of ZnOS on the performance of perovskite solar cells (PSCs). The proposed solar cell structure consisted of a glass/TCO/TiO2/ZnOS/CsPbI3/CuSbS2/Au configuration. Incorporating ZnOS-BL between the electron transport layer (ETL) and absorber layer (AL) improved the charge transportation, enhancing the overall performance. The effects of material characteristics, such as the thickness of AL as well as the electron affinity of ETL, BL, and hole transport layer (HTL), were studied. Moreover, the doping densities of ETL, BL and HTL were also examined and optimized to achieve the highest device performance. Consequently, the device performance parameters improved significantly, such as the device incorporating BL achieved JSC of 22.98 mA/cm2, VOC of 1.13 V, FF of 86.25% and power conversion efficiency (PCE) of 22.04% compared to the reference device without BL with JSC of 18.46 mA/cm2, VOC of 0.79 V, FF of 78.81%, and PCE of 11.14%. The proposed modeling process opens a new path for researchers to develop this BL-based PSC experimentally.

Type: Article
Title: A computational investigation of ZnOS buffer layer integration for improved performance of perovskite solar cell
DOI: 10.1007/s11082-025-08559-5
Publisher version: https://doi.org/10.1007/s11082-025-08559-5
Language: English
Additional information: This version is the author-accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: Perovskite solar cells, CsPbI3, Buffer layer, SCAPS-1D, Electron affinity, Doping density, Performance optimization
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > MAPS Faculty Office
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > MAPS Faculty Office > Institute for Materials Discovery
URI: https://discovery.ucl.ac.uk/id/eprint/10219050
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