Tuning 2D Perovskite Passivation: Impact of Electronic and Steric Effects on the Performance of 3D/2D Perovskite Solar Cells

Date

2023-01-01

Author

Gozukara Karabag, Zeynep
Karabag, Aliekber
Gunes, Ummugulsum
Gao, Xiao-Xin
Syzgenteva, Olga A.
Syzgenteva, Maria A.
Varlioglu Yaylali, Figen
Shibayama, Naoyuki
Kanda, Hiroyuki
Rafieh, Alwani Imanah
Turnell-Ritson, Roland C.
Dyson, Paul J.
Yerci, Selçuk
Nazeeruddin, Mohammad Khaja
Günbaş, Emrullah Görkem

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Surface passivation with 2D perovskites is a powerful strategy to achieve improved stability and performance in perovskite solar cells (PSCs). Various large organic cations have been successfully implemented, led by phenylethylammonium (PEA+) and its derivatives. However, systematic studies on large sets of cations to understand the effect of substituent position on 2D perovskite passivation and device performance are lacking. Herein, a collection of halogenated PEA+ iodide salts (x-XPEAI where x: ortho (o), meta (m), para (p), X: F, Cl, Br) are synthesized by a facile method and deposited on top of 3D perovskite. The 2D perovskite layer formation is confirmed by X-ray diffraction (XRD) and grazing-incidence wide-angle X-ray scattering analyses for all cations, regardless of the nature and position of the halogen. Density functional theory analysis reveals that lower formation energies and higher interfacial dipoles achieved by m-substituted cations are responsible for enhanced performance compared to their o- and p- counterparts. While the m-BrPEAI-treated device shows a champion efficiency of 23.42%, (VOC=1.13 V, FF=81.2%), considering average efficiencies, stability, and reproducibility, the treatment with m-ClPEAI salt yields the best overall performance. This comprehensive study provides guidelines for understanding the influence of large cation modification on performance and stability of 3D/2D PSCs.

Subject Keywords

3D/2D perovskite solar cells, phenylethylammonium cations, power conversion efficiency, stability, substituent and position effects

URI

https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85172908006&origin=inward
https://hdl.handle.net/11511/105730

Collections

Department of Physics, Article