Defect passivation in methylammonium/bromine free inverted perovskite solar cells using charge-modulated molecular bonding

Dhruba B. Khadka (), Yasuhiro Shirai (), Masatoshi Yanagida, Hitoshi Ota, Andrey Lyalin (), Tetsuya Taketsugu and Kenjiro Miyano
Additional contact information
Dhruba B. Khadka: National Institute for Materials Science (NIMS)
Yasuhiro Shirai: National Institute for Materials Science (NIMS)
Masatoshi Yanagida: National Institute for Materials Science (NIMS)
Hitoshi Ota: National Institute for Materials Science (NIMS)
Andrey Lyalin: National Institute for Materials Science
Tetsuya Taketsugu: Hokkaido University
Kenjiro Miyano: National Institute for Materials Science (NIMS)

Nature Communications, 2024, vol. 15, issue 1, 1-16

Abstract: Abstract Molecular passivation is a prominent approach for improving the performance and operation stability of halide perovskite solar cells (HPSCs). Herein, we reveal discernible effects of diammonium molecules with either an aryl or alkyl core onto Methylammonium-free perovskites. Piperazine dihydriodide (PZDI), characterized by an alkyl core-electron cloud-rich-NH terminal, proves effective in mitigating surface and bulk defects and modifying surface chemistry or interfacial energy band, ultimately leading to improved carrier extraction. Benefiting from superior PZDI passivation, the device achieves an impressive efficiency of 23.17% (area ~1 cm2) (low open circuit voltage deficit ~0.327 V) along with superior operational stability. We achieve a certified efficiency of ~21.47% (area ~1.024 cm2) for inverted HPSC. PZDI strengthens adhesion to the perovskite via -NH2I and Mulliken charge distribution. Device analysis corroborates that stronger bonding interaction attenuates the defect densities and suppresses ion migration. This work underscores the crucial role of bifunctional molecules with stronger surface adsorption in defect mitigation, setting the stage for the design of charge-regulated molecular passivation to enhance the performance and stability of HPSC.

Date: 2024
References: View references in EconPapers View complete reference list from CitEc
Citations: View citations in EconPapers (2)

Downloads: (external link)
https://www.nature.com/articles/s41467-024-45228-9 Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-45228-9

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/s41467-024-45228-9

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().