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Asymmetric Dual-Interface Passivation with Functionalized Ammonium Halides for High-Performance Inverted CsPbI 2 Br Perovskite Solar Cells.

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Title: Asymmetric Dual-Interface Passivation with Functionalized Ammonium Halides for High-Performance Inverted CsPbI 2 Br Perovskite Solar Cells.
Authors: Liu, Xin1 (AUTHOR) 16608310283@163.com, Liu, Chengguo1 (AUTHOR), Li, Wei1 (AUTHOR), Song, Wangyang1 (AUTHOR), Li, Xiaoxuan1 (AUTHOR), Li, Bo1 (AUTHOR), Zhao, Kun1 (AUTHOR), Wang, Shu1 (AUTHOR), Li, Jie1 (AUTHOR), Yang, Dingyu1 (AUTHOR) yangdingyu@cuit.edu.cn
Source: Nanomaterials (2079-4991). Jul2026, Vol. 16 Issue 13, p795. 13p.
Subjects: Surface passivation, Solar cell efficiency, Solar cells, Ammonium salts, Recombination (Chemistry)
Abstract: Interfacial defect passivation has emerged as a critical strategy for mitigating non-radiative recombination losses in inorganic perovskite solar cells (PSCs). However, the distinct chemical environments at the bottom (hole-transport layer) and top (electron-transport layer) interfaces demand passivation agents with tailored functionalities—a principle that remains largely underexplored. Herein, we systematically employed two organic ammonium iodide salts, phenylethylammonium iodide (PEAI) and 2-thiophenemethylammonium iodide (ThMI), to separately modulate the bottom NiOx/CsPbI2Br and top CsPbI2Br/PCBM interfaces of inverted PSCs with a configuration of ITO/NiOx/CsPbI2Br/PCBM/BCP/Ag. We reveal different interfacial modulation effects: bottom-interface modification by both PEAI and ThMI dramatically improves the fill factor (FF), with PEAI delivering a more pronounced enhancement due to improved interfacial contact and reduced series resistance. However, top-interface passivation effectively boosts the open-circuit voltage (Voc), where ThMI exhibits superior voltage elevation capability over PEAI by neutralizing undercoordinated Pb2+ defects via its thiophene moiety. Capitalizing on this complementary selectivity, we construct an asymmetric dual-interface passivation architecture with PEAI at the bottom and ThMI at the top (ITO/NiOx/PEAI/CsPbI2Br/ThMI/PCBM/BCP/Ag), which synergistically enhances both FF and Voc. Consequently, the optimized PEAI/ThMI device achieves a champion power conversion efficiency (PCE) of 15.44%, with a Voc of 1.15 V, a Jsc of 16.34 mA/cm2, and an FF of 82.15%, significantly outperforming the control device (11.79%). This work establishes a rational design paradigm for interface-specific passivation in inverted inorganic PSCs, highlighting the importance of molecular functionality in addressing distinct interfacial recombination pathways. [ABSTRACT FROM AUTHOR]
Copyright of Nanomaterials (2079-4991) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Label: Title
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  Data: Asymmetric Dual-Interface Passivation with Functionalized Ammonium Halides for High-Performance Inverted CsPbI 2 Br Perovskite Solar Cells.
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  Data: <searchLink fieldCode="AR" term="%22Liu%2C+Xin%22">Liu, Xin</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> 16608310283@163.com</i><br /><searchLink fieldCode="AR" term="%22Liu%2C+Chengguo%22">Liu, Chengguo</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Li%2C+Wei%22">Li, Wei</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Song%2C+Wangyang%22">Song, Wangyang</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Li%2C+Xiaoxuan%22">Li, Xiaoxuan</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Li%2C+Bo%22">Li, Bo</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zhao%2C+Kun%22">Zhao, Kun</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wang%2C+Shu%22">Wang, Shu</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Li%2C+Jie%22">Li, Jie</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Yang%2C+Dingyu%22">Yang, Dingyu</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> yangdingyu@cuit.edu.cn</i>
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  Data: <searchLink fieldCode="JN" term="%22Nanomaterials+%282079-4991%29%22">Nanomaterials (2079-4991)</searchLink>. Jul2026, Vol. 16 Issue 13, p795. 13p.
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  Data: <searchLink fieldCode="DE" term="%22Surface+passivation%22">Surface passivation</searchLink><br /><searchLink fieldCode="DE" term="%22Solar+cell+efficiency%22">Solar cell efficiency</searchLink><br /><searchLink fieldCode="DE" term="%22Solar+cells%22">Solar cells</searchLink><br /><searchLink fieldCode="DE" term="%22Ammonium+salts%22">Ammonium salts</searchLink><br /><searchLink fieldCode="DE" term="%22Recombination+%28Chemistry%29%22">Recombination (Chemistry)</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Interfacial defect passivation has emerged as a critical strategy for mitigating non-radiative recombination losses in inorganic perovskite solar cells (PSCs). However, the distinct chemical environments at the bottom (hole-transport layer) and top (electron-transport layer) interfaces demand passivation agents with tailored functionalities—a principle that remains largely underexplored. Herein, we systematically employed two organic ammonium iodide salts, phenylethylammonium iodide (PEAI) and 2-thiophenemethylammonium iodide (ThMI), to separately modulate the bottom NiOx/CsPbI2Br and top CsPbI2Br/PCBM interfaces of inverted PSCs with a configuration of ITO/NiOx/CsPbI2Br/PCBM/BCP/Ag. We reveal different interfacial modulation effects: bottom-interface modification by both PEAI and ThMI dramatically improves the fill factor (FF), with PEAI delivering a more pronounced enhancement due to improved interfacial contact and reduced series resistance. However, top-interface passivation effectively boosts the open-circuit voltage (Voc), where ThMI exhibits superior voltage elevation capability over PEAI by neutralizing undercoordinated Pb2+ defects via its thiophene moiety. Capitalizing on this complementary selectivity, we construct an asymmetric dual-interface passivation architecture with PEAI at the bottom and ThMI at the top (ITO/NiOx/PEAI/CsPbI2Br/ThMI/PCBM/BCP/Ag), which synergistically enhances both FF and Voc. Consequently, the optimized PEAI/ThMI device achieves a champion power conversion efficiency (PCE) of 15.44%, with a Voc of 1.15 V, a Jsc of 16.34 mA/cm2, and an FF of 82.15%, significantly outperforming the control device (11.79%). This work establishes a rational design paradigm for interface-specific passivation in inverted inorganic PSCs, highlighting the importance of molecular functionality in addressing distinct interfacial recombination pathways. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Nanomaterials (2079-4991) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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      – Type: doi
        Value: 10.3390/nano16130795
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      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 13
        StartPage: 795
    Subjects:
      – SubjectFull: Surface passivation
        Type: general
      – SubjectFull: Solar cell efficiency
        Type: general
      – SubjectFull: Solar cells
        Type: general
      – SubjectFull: Ammonium salts
        Type: general
      – SubjectFull: Recombination (Chemistry)
        Type: general
    Titles:
      – TitleFull: Asymmetric Dual-Interface Passivation with Functionalized Ammonium Halides for High-Performance Inverted CsPbI 2 Br Perovskite Solar Cells.
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            – D: 01
              M: 07
              Text: Jul2026
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              Y: 2026
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