The impact of fluorine atoms on a triphenylamine-based dopant-free hole-selective layer for perovskite solar cells

Ghaderian, Abolfazl; Pegu, Meenakshi; Hemasiri, Naveen Harindu; Huang, Peng; Ahmad, Shahzada; Kazim, Samrana

doi:10.1039/d1tc04972k

Cited by 11 publications

(1 citation statement)

References 47 publications

(42 reference statements)

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“…The fabricated PSCs exhibit a high efficiency of 24.8% and long-term stability, indicating that the fluorination of HTMs is an effective method to construct high-efficiency HTMs . Subsequently, a number of new HTMs are developed by considering the effect of fluorine substitution to acquire good device stability and high efficiency. − By introducing a large conjugation unit in fluorinated Spiro-type HTMs, a dopant-free HTM M6-F is reported and the durable stability and excellent efficiency of 21.2% are obtained . Moreover, the addition of sulfur atoms on the HTM scaffold and surface passivator is an efficient approach to promoting the interfacial stability and charge transfer in PSCs. − The dissymmetric fluorene–dithiophene of the FDT is thought to be helpful for enhancing the interfacial hole transfer by the additional thiophene–iodine interaction .…”

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confidence: 99%

Interfacial and Molecular Engineering of a Helicene-Based Molecular Semiconductor for Stable and Efficient Perovskite Solar Cells

Sun

Long

2023

J. Phys. Chem. C

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Due to the attractive optoelectronic properties and extensive application in solar cells, the design of new helicene-type molecular semiconductors is of remarkable importance for development of high-efficiency hole-transporting materials (HTMs). In this work, three helicene HTMs are constructed on the basis of the molecular conformation of experimentally reported T5H-OMeDPA by replacing the thia[5]helicene unit with a more curved π-linker of dithia[6]helicene and considering the effects of fluorine substitution. The electronic and optical properties, hole transport, and interfacial property are studied with quantum chemistry methods, and the results show that new tailored HTMs perform much better than T5H-OMeDPA in terms of the calculated HOMO levels, hole mobility, optical adsorption, solubility and stability, interfacial stability, and hole transfer. The more stable HOMO levels of new HTMs (SM31–SM33) will be beneficial for the regulation of interfacial energy alignment. Importantly, the hole mobilities of the designed HTMs are also distinctly improved due to the enhanced electronic coupling and lowered hole reorganization energies. The fluorine substitution can clearly heighten the orbital overlapping via compact molecule packing. In the meantime, dithia[6]helicene can lower the reorganization energy although the more curved π-electron system often disturbs the intermolecular π–π stacking. Moreover, our results also reveal that additional Pb–S interactions can effectually promote the interface adsorption and hole extraction. In sum, our study shows the validity of fluorine substitution and introduces helicene with a more extended structure, and three potential helicene-type HTMs are proposed.

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Section: Introductionmentioning

confidence: 99%

Interfacial and Molecular Engineering of a Helicene-Based Molecular Semiconductor for Stable and Efficient Perovskite Solar Cells

Sun

Long

2023

J. Phys. Chem. C

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Amplifying the Performance and Stability of Perovskite Solar Cells Using Fluorinated Salt as the Surface Passivator

et al. 2022

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Three-dimensional hybrid perovskite-based solar cells have shown outstanding power conversion efficiency, while layered perovskite is emerging as the advanced version to deliver high stability. Galvanize with the surge of the report of layered perovskites, we explore a common salt tetra-n-butyl ammonium hexafluorophosphate (TBAPF) as a passivating agent between perovskite and hole transporting layer that improves the power conversion efficiency and stability. The use of TBAPF as a surface passivator mitigates the surface defect and increases hydrophobicity.The fluorine atoms in TBAPF provide hydrogen bonding interaction with the hydrogen of organic ammonium cation in perovskite established by nuclear magnetic resonance techniques ( 1 H-NMR). Effective charge extraction to the hole transport layer is suggested by steady-state photoluminescence (PL) measurements, showing higher quenching with the passivated perovskite compared to the pristine perovskite. Our results suggest TBAPF treatment improved the junction quality and minimizes the defects by virtue of the H-bonding, which in turn improves the photovoltaic parameters and long-term stability.

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Balancing multiple properties of small molecule hole-transporting materials towards highly efficient perovskite QLEDs

Yang,

Moslempoor,

et al. 2024

Chemical Engineering Journal

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The impact of fluorine atoms on a triphenylamine-based dopant-free hole-selective layer for perovskite solar cells

Abstract: For industrial endeavors, perovskite solar cells (PSCs) demand long-term stability and a cost-effective hole-transporting layer (HTL). The PSC stability can be substantially improved by the rational design of dopant-free HTL...

Cited by 11 publications

References 47 publications

Interfacial and Molecular Engineering of a Helicene-Based Molecular Semiconductor for Stable and Efficient Perovskite Solar Cells

Interfacial and Molecular Engineering of a Helicene-Based Molecular Semiconductor for Stable and Efficient Perovskite Solar Cells

Amplifying the Performance and Stability of Perovskite Solar Cells Using Fluorinated Salt as the Surface Passivator

Balancing multiple properties of small molecule hole-transporting materials towards highly efficient perovskite QLEDs

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