Halogen-Functional Molecules for Synergistic Multi-Defect Healing in High-Performance Perovskite Solar Cells

Chu, Weicun

doi:10.1002/smll.73436

Halogen-Functional Molecules for Synergistic Multi-Defect Healing in High-Performance Perovskite Solar Cells

2026-04-01

0

PRE

AI

C

Chu, Weicun

W

Wang, Cheng

W

Wei, Zeliang

L

Li, Luyao

G

Gao, Jiaxing

D

Dai, Yiming

Z

Zhao, Luyao

L

Lyu, Dongyang

T

Tian, Bingkun

Q

Qian, Dongmin

赵小明 (Xiaoming Zhao)

聂

聂日明 (Riming Nie)

郭

郭万林 (Wanlin Guo) *

DOI：10.1002/smll.73436

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Abstract

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Defect complexity and dynamic coupling in perovskites limit single-target passivation and often incur lattice damage when highly reactive agents are used. Here, we introduce two additives, perfluoropinacol (PFP) and 2,6-dichlorobenzyl chloride (DCB), to achieve synergistic, multiple defect passivation while promoting controlled crystallization. With multiple functional sites targeting distinct defect species (such as VI vacancy, VPb vacancy, PbI antisite, and so on), PFP and DCB act synergistically to achieve comprehensive, integrated defect passivation. The combined action improves defect passivation, delivering high-performance devices: champion PCEs of 25.47% (n-i-p) and 26.47% (p-i-n). Unencapsulated devices exhibit durable stability, retaining 95% of initial efficiency after 1300 h at 65 degrees C and 94% after 1000 h under 1-sun maximum power point tracking (MPPT). This cooperative strategy provides a practical pathway to simultaneously regulate crystallization and suppress deep/shallow defects, advancing efficient and stable perovskite photovoltaics toward industrial deployment.

Keywords:

crystallization regulation

defect passivation

perovskite solar cells

synergistic effect

Halogen-Functional Molecules for Synergistic Multi-Defect Healing in High-Performance Perovskite Solar Cells

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