Enhanced Efficiency and Stability of Inverted Perovskite Solar Cells via Isomerization Engineering of Self‐Assembled Monolayers

C Chao Lv (Key Laboratory of the Ministry of Education for Advanced Catalysis Materials, Institute of Physical Chemistry, College of Chemistry and Materials Science) Y Yawei Miao (College of Chemistry and Chemical Engineering Taishan University Taian 271000 P.R. China) J Jing Wang (Hunan Cancer Hospital Changsha China) J Jiayu Li Z Zeyuan Hu Y Yuexing Zhang (Shandong Provincial Key Laboratory of Monocrystalline Silicon Semiconductor Materials and Technology, College of Chemistry and Chemical Engineering, Dezhou University 1 , Dezhou 253023,) P Ping Wu (Department of Neurobiology, University of Texas Medical Branch) L Longlong Geng (Shandong Provincial Key Laboratory of Monocrystalline Silicon Semiconductor Materials and Technology, College of Chemistry and Chemical Engineering) Y Ying Li X Xiangchuan Meng (Film Energy Chemistry for Jiangxi Provincial Key Laboratory Institute of Polymers and Energy Chemistry School of Physics and Materials Science Nanchang University 999 Xuefu Avenue Nanchang 330031 P.R. China) F Fariba Tajabadi (Department of Nanotechnology and Advanced Materials Materials and Energy Research Center Karaj 31787‐316 Iran) N Nima Taghavinia (Department of Physics Sharif University of Technology Tehran 14588 Iran) K Ke Gao (State Key Laboratory of Bioactive Substance and Function of Natural Medicines, CAMS Key Laboratory of Enzyme and Biocatalysis of Natural Drugs, and NHC Key Laboratory of Biosynthesis of Natural Products) Q Qifan Xue

Abstract

Abstract Carbazole‐based SAMs show great promise as interfacial modifiers in inverted perovskite solar cells (PSCs). Their large dipole moments and covalent binding capabilities suppress charge recombination and enhance device stability. We designed two isomeric carbazole SAMs (EPACz and PPACz) by adjusting the phenyl ring position. PPACz exhibits a higher dipole moment (2.60 D versus 1.77 D for EPACz) and a narrower HOMO‐LUMO gap (2.39 eV), enabling superior hole extraction. PPACz‐based devices achieved an excellent PCE of 26.1% (versus 22.0% for EPACz), with 23.5% efficiency for 1 cm 2 devices. The stronger tridentate anchoring of PPACz to ITO (compared with EPACz) improves interfacial stability. Unencapsulated devices retained over 90% of their initial efficiency after 540 h, demonstrating exceptional durability. This work provides key insights for designing high‐performance SAMs in perovskite photovoltaics.

Article Details

Volume / Issue Vol. 64, Issue 46
Published November 10, 2025
ISSN 1433-7851
Publisher Wiley

Journal Info

Angewandte Chemie International Edition

Wiley

ISSN: 1433-7851 Physical Sciences

Authors (14)

C

Chao Lv

Key Laboratory of the Ministry of Education for Advanced Catalysis Materials, Institute of Physical Chemistry, College of Chemistry and Materials Science

Y

Yawei Miao

College of Chemistry and Chemical Engineering Taishan University Taian 271000 P.R. China

J

Jing Wang

Hunan Cancer Hospital Changsha China

J

Jiayu Li

Z

Zeyuan Hu

Y

Yuexing Zhang

Shandong Provincial Key Laboratory of Monocrystalline Silicon Semiconductor Materials and Technology, College of Chemistry and Chemical Engineering, Dezhou University 1 , Dezhou 253023,

P

Ping Wu

Department of Neurobiology, University of Texas Medical Branch

L

Longlong Geng

Shandong Provincial Key Laboratory of Monocrystalline Silicon Semiconductor Materials and Technology, College of Chemistry and Chemical Engineering

Y

Ying Li

X

Xiangchuan Meng

Film Energy Chemistry for Jiangxi Provincial Key Laboratory Institute of Polymers and Energy Chemistry School of Physics and Materials Science Nanchang University 999 Xuefu Avenue Nanchang 330031 P.R. China

F

Fariba Tajabadi

Department of Nanotechnology and Advanced Materials Materials and Energy Research Center Karaj 31787‐316 Iran

N

Nima Taghavinia

Department of Physics Sharif University of Technology Tehran 14588 Iran

K

Ke Gao

State Key Laboratory of Bioactive Substance and Function of Natural Medicines, CAMS Key Laboratory of Enzyme and Biocatalysis of Natural Drugs, and NHC Key Laboratory of Biosynthesis of Natural Products

Q

Qifan Xue