期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 60, 期 32, 页码 17664-17670出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202105512
关键词
chlorosilane molecules; defect passivation; dipole moment; interface energy level alignment; perovskite solar cells
资金
- NSF [CMMI 1914713, ECCS 1914562, DMR 1903990]
- Natural Science Foundation of Jiangsu Province [BK20201202]
- Department of the Navy, Office of Naval Research [N00014-20-1-2110]
- College of Science of the University of Arizona
This study successfully enhanced the performance of perovskite solar cells by passivating defects and modulating energy level alignment at the interface using polar chlorine-terminated silane molecules.
The ability to passivate defects and modulate the interface energy-level alignment (IEA) is key to boost the performance of perovskite solar cells (PSCs). Herein, we report a robust route that simultaneously allows defect passivation and reduced energy difference between perovskite and hole transport layer (HTL) via the judicious placement of polar chlorine-terminated silane molecules at the interface. Density functional theory (DFT) points to effective passivation of the halide vacancies on perovskite surface by the silane chlorine atoms. An integrated experimental and DFT study demonstrates that the dipole layer formed by the silane molecules decreases the perovskite work function, imparting an Ohmic character to the perovskite/HTL contact. The corresponding PSCs manifest a nearly 20 % increase in power conversion efficiency over pristine devices and a markedly enhanced device stability. As such, the use of polar molecules to passivate defects and tailor the IEA in PSCs presents a promising platform to advance the performance of PSCs.
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