Molecular coordination-driven interfacial engineering for high-efficiency CsPbI3 perovskite solar cells

S Siye Lu (State Key Laboratory of Integrated Optoelectronics, JLU Region, College of Electronic Science and Engineering, Jilin University , 2699 Qianjin Street, Changchun 130012,) X Xiaolong Geng (State Key Laboratory of Integrated Optoelectronics, JLU Region, College of Electronic Science and Engineering, Jilin University , 2699 Qianjin Street, Changchun 130012,) J Jia Liu W Wenwen Liu C Chunyu Liu (Department of Psychiatry, State University of New York Upstate Medical University) W Wenbin Guo

Abstract

The intrinsic defects of CsPbI3 significantly degrade the photovoltaic performance of perovskite solar cells. Herein, a multifunctional interfacial modification strategy was developed using the nitrogen-rich heterocyclic molecule 2-hydrazinopyridine (2-HP). The nitrogen atoms of pyridine and hydrazine (-NH-NH2) as active sites can effectively drive coordination with unsaturated Pb2+ ions by Lewis acid–base interaction and anchor iodine-related defects by forming hydrogen bond. This synergistic defect passivation strategy reduced trap-state density and suppressed the defect-induced charge recombination loss. Consequently, the optimal 2-HP-modified CsPbI3 devices achieved a champion power conversion efficiency of 19.08%, corresponding to a 12% enhancement over their unmodified counterparts. This study establishes a practical molecular coordination-driven interfacial engineering approach for realizing high-performance all-inorganic perovskite photovoltaics.

Article Details

Volume / Issue Vol. 127, Issue 10
Published September 08, 2025
ISSN 0003-6951
Publisher American Institute of Physics

Journal Info

Applied Physics Letters

American Institute of Physics

ISSN: 0003-6951 Physical Sciences

Authors (6)

S

Siye Lu

State Key Laboratory of Integrated Optoelectronics, JLU Region, College of Electronic Science and Engineering, Jilin University , 2699 Qianjin Street, Changchun 130012,

X

Xiaolong Geng

State Key Laboratory of Integrated Optoelectronics, JLU Region, College of Electronic Science and Engineering, Jilin University , 2699 Qianjin Street, Changchun 130012,

J

Jia Liu

W

Wenwen Liu

C

Chunyu Liu

Department of Psychiatry, State University of New York Upstate Medical University

W

Wenbin Guo