Halogenated Hole Selective Contact Enhances Interfacial Weak Bonding of Perovskite Solar Cells

Weak bonding between the perovskite and charge transport layers can lead to interfacial defects, hindering charge transfer and limiting the efficiency and stability of perovskite solar cells (PSCs). To address this issue, two halogenated spiro[fluorene‐9,9′‐xanthene]‐based molecules (SFX‐DM‐F and SF...

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Bibliographic Details
Published in:Advanced energy materials 2024-08, Vol.14 (31), p.n/a
Main Authors: Wang, Aili, Zhai, Mengde, Du, Kaihuai, Yang, Jinman, Zhang, Luozheng, Li, Bairu, Luo, Long, Dong, Xu, Li, Lvzhou, Li, Guixiang, Li, Meng, Abate, Antonio, Cheng, Ming, Ding, Jianning
Format: Article
Language:English
Subjects:
bifacial interaction
Bonding strength
Charge efficiency
Charge transfer
Charge transport
Chemical bonds
Efficiency
Energy conversion efficiency
First principles
halogenated homologous bridge
interfacial stability
Interlayers
perovskite solar cells
Perovskites
Photovoltaic cells
Relative humidity
Solar cells
Stability
weak bonding
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Summary:Weak bonding between the perovskite and charge transport layers can lead to interfacial defects, hindering charge transfer and limiting the efficiency and stability of perovskite solar cells (PSCs). To address this issue, two halogenated spiro[fluorene‐9,9′‐xanthene]‐based molecules (SFX‐DM‐F and SFX‐DM‐Cl) are designed as an interfacial layer between perovskite and hole transport materials (HTMs). Both first‐principles simulations and experimental results are used to demonstrate that these halogenated interfacial layers improve the contact stability between perovskite's Pb(II) and HTMs, increasing the efficiency of charge transfer. The similar structure of interlayer to HTM also enhances the interfacial hole transfer integral, favoring effective hole transport. The PSCs based on SFX‐DM‐Cl achieve power conversion efficiencies of 24.8% (0.0625 cm2) and 23.1% (1 cm2). Even after 2000 h at a relative humidity of 15–20%, the unencapsulated PSC retains 94% of its initial efficiency. This work proposes the halogenated homologous HTMs as interfacial molecular bridges to optimize weak chemical bonds and hole transfer, thereby enabling efficient and stable PSCs. To enhance interface bonding and charge transfer in perovskite solar cells, halogenated spiro[fluorene‐9,9’‐xanthene]‐based molecules are designed as interfacial layers, structurally similar to charge selective contacts. The halogenated interlayers passivate defects, optimize energy level alignment, and stabilize interface contact, resulting in enhanced efficiency and stability. This work offers a novel approach toward high‐efficiency and durable photovoltaic devices.
ISSN:1614-6832
1614-6840
DOI:10.1002/aenm.202400640