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Reducing Defects Density and Enhancing Hole Extraction for Efficient Perovskite Solar Cells Enabled by π‐Pb 2+ Interactions
Author(s) -
Wen Lirong,
Rao Yi,
Zhu Mingzhe,
Li Ruitao,
Zhan Jingbo,
Zhang Linbao,
Wang Li,
Li Ming,
Pang Shuping,
Zhou Zhongmin
Publication year - 2021
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.202102096
Subject(s) - perovskite (structure) , doping , density functional theory , intermolecular force , extraction (chemistry) , hysteresis , materials science , chemical physics , work function , molecule , nanotechnology , computational chemistry , chemistry , optoelectronics , layer (electronics) , crystallography , condensed matter physics , organic chemistry , physics
Molecular doping is an of significance approach to reduce defects density of perovskite and to improve interfacial charge extraction in perovskite solar cells. Here, we show a new strategy for chemical doping of perovskite via an organic small molecule, which features a fused tricyclic core, showing strong intermolecular π‐Pb 2+ interactions with under‐coordinated Pb 2+ in perovskite. This π‐Pb 2+ interactions could reduce defects density of the perovskite and suppress the nonradiative recombination, which was also confirmed by the density functional theory calculations. In addition, this doping via π‐Pb 2+ interactions could deepen the surface potential and downshift the work function of the doped perovskite film, facilitating the hole extraction to hole transport layer. As a result, the doped device showed high efficiency of 21.41 % with ignorable hysteresis. This strategy of fused tricyclic core‐based doping provides a new perspective for the design of new organic materials to improve the device performance.