Authors
Yiran Zheng, Ziang Ren, Chenfei Zhu, Ying Zhou, Kunpeng Du, Cun Zhou, Yuanzhi Jin, Jiajun Wang, Guofeng You, Haotian Wu, Yao Wang, Weifei Fu, Hongzheng Chen
Published in
Materials horizons. Aug 27, 2026. Epub Aug 27, 2026.
Abstract
Carbazole-based self-assembled monolayers (SAMs) are widely used to modify NiOx contacts in inverted perovskite solar cells (PSCs), yet the role of π-backbone isomerism in regulating SAM assembly behavior, coverage, and buried-interface robustness remains underexplored. Here, we design a set of 3PACz-derived carbazole SAMs with identical phosphonic-acid anchors and C3 alkyl spacers but distinct π-conjugated backbones to isolate the effect of backbone geometry. Compared with non-extended 3PACz and linearly π-extended F-3PADCz, the bent constitutional isomer I-3PADCz exhibits the weakest self-aggregation tendency while maintaining the strongest NiOx anchoring and a favorable interfacial dipole. This molecular configuration enables a dense, solvent-robust, and electronically homogeneous SAM contact, thereby promoting uniform perovskite crystallization, reducing residual strain, and yielding a compact buried-interface morphology with fewer defects. Consequently, I-3PADCz-based inverted PSCs achieve a champion power conversion efficiency of 25.44% and retain 97% of their initial efficiency after 646 h of continuous 1 sun maximum power point tracking under the ISOS-L-1 protocol. I-3PADCz also delivers efficiencies of 25.40% in blade-coated FAPbI3 small-area devices and 23.46% in 6.25 cm2 mini-modules. This work establishes π-backbone isomerism as an effective strategy for robust and scalable NiOx/SAM contacts.
PMID:
42657587
Bibliographic data and abstract were imported from PubMed on 27 Aug 2026.
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