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Enhancing perovskite solar cell performance through PbI2 in situ passivation using a one-step process: experimental insights and simulations

Selma Rabhi Orcid Logo, Karthick Sekar Orcid Logo, Karol Kalna Orcid Logo, Tarak Hidouri Orcid Logo, Dip Prakash Samajdar Orcid Logo, Babban Kumar Ravidas, Hichem Bencherif Orcid Logo, Roberto Fornari Orcid Logo, Kouloud Albaidani, M. Khalid Hossain Orcid Logo

RSC Advances, Volume: 14, Issue: 46, Pages: 34051 - 34065

Swansea University Author: Karol Kalna Orcid Logo

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DOI (Published version): 10.1039/d4ra06193d

Abstract

The in situ passivation of a methylammonium lead triiodide (MAPbI3) phase spin-coated via a one-step process was experimentally investigated to elucidate their fundamental properties. Structural analysis revealed that MAPbI3 adopts a tetragonal crystal structure with a small excess of PbI2 (0.03 M)...

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Published in: RSC Advances
ISSN: 2046-2069
Published: Royal Society of Chemistry 2024
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URI: https://cronfa.swan.ac.uk/Record/cronfa68080
Abstract: The in situ passivation of a methylammonium lead triiodide (MAPbI3) phase spin-coated via a one-step process was experimentally investigated to elucidate their fundamental properties. Structural analysis revealed that MAPbI3 adopts a tetragonal crystal structure with a small excess of PbI2 (0.03 M) segregating at grain boundaries. Optical characterization indicated a band gap of 1.53 eV, highlighting the material's potential as an effective visible light absorber. To facilitate the fabrication of efficient perovskite solar cells (PSCs), we employed a primary n-i-p planar structure (ITO/SnO2/MAPbI3/spiro-OMeTAD/Au) in drift-diffusion SCAPS-1D simulations using experimental data from MAPbI3 layers containing excess PbI2. The simulations predicted a high power conversion efficiency (PCE) of approximately 24%. We further analyzed the impact of series resistance, shunt resistance, MAPbI3 thickness, defect density, as well as radiative and Auger recombination on photovoltaic performance, aiming to identify optimal parameters for enhanced device efficiency. Additionally, the use of ohmic contacts with AZO and IZO as the front and rear contacts, respectively, in the optimized device structure (AZO/SnO2/MAPbI3/spiro-OMeTAD/IZO) resulted in a PCE of 26.03%. These findings provide valuable insights for future research aimed at achieving high-efficiency bifacial MAPbI3 perovskite solar cells.
College: Faculty of Science and Engineering
Funders: This project has received funding from the European Union's Horizon 2020 Research and Innovation Program under the Marie Skłodowska-Curie Project OPTOHYB with grant agreement no. 1010233335 (recipient: Tarak Hidouri). The authors would like to thank Marc Burgelman, University of Gent, Belgium, for providing free access to drift-diffusion SCAPS-1D simulation software.
Issue: 46
Start Page: 34051
End Page: 34065