Molecular Design‐Driven Interface Engineering Enabling Simultaneous Defect Passivation and Enhanced Hole Extraction in Perovskite Solar Cells
Abstract
Abstract Interface engineering has emerged as an effective strategy to address interface defects and energy level misalignment between the perovskite and hole transport layer (HTL). Herein, three novel multifunctional hole interface molecules with distinct substituents were designed to passivate defects at the perovskite/HTL interface. These molecules integrate hole‐transporting groups with passivating units, enabling effective defect passivation, improved energy level alignment, and facilitating efficient carrier extraction. Among the three hole transport interface molecules (HTIMs), the 3‐(3,6‐bis(4‐(bis(4‐(methylthio)phenyl)amino)phenyl)‐9H‐carbazol‐9‐yl)hexan‐1‐amine hydroiodide (MeS‐TPA‐Cbz‐HAI), comprising ‐MeS and HAI units, exhibited superior interface passivation capability and greater chemical compatibility with 2,2′,7,7′‐Tetrakis (N,N‐di‐p‐methoxyphenylamine)‐9,9′‐spirobifluorene (Spiro‐OMeTAD), leading to a reduction in defect density and enhanced hole transport. Consequently, the device based on MeS‐TPA‐Cbz‐HAI achieved a notable power conversion efficiency (PCE) of 25.83%. Moreover, the unencapsulated device maintained 94% of its initial efficiency after 1000 hours of continuous operation under ambient conditions (30%–65% relative humidity), demonstrating remarkable long‐term stability. This design strategy for hole interface molecules presents a promising avenue for achieving both high efficiency and operational stability in perovskite solar cells.
Article Details
Authors (16)
Wei Jia
Riming Sun
State Key Laboratory of Solidification Processing Center for Nano Energy Materials School of Materials Science and Engineering Northwestern Polytechnical University (NPU) Xi'an 710072 China
Jingyuan Qiao
State Key Laboratory of Flexible Electronics (SoFE) Shaanxi Institute of Flexible Electronics (SIFE) Institute of Flexible Electronics (IFE) Northwestern Polytechnical University (NPU) Xi'an 710072 China
Guangchao Shi
State Key Laboratory of Flexible Electronics (SoFE) Shaanxi Institute of Flexible Electronics (SIFE) Institute of Flexible Electronics (IFE) Northwestern Polytechnical University (NPU) Xi'an 710072 China
Qiangqiang Zhao
Ziyan Gong
State Key Laboratory of Solidification Processing Center for Nano Energy Materials School of Materials Science and Engineering Northwestern Polytechnical University (NPU) Xi'an 710072 China
Siming Zheng
Frontiers Science Center for Flexible Electronics (FSCFE), Shaanxi Institute of Flexible Electronics (SIFE) & Institute of Flexible Electronics (IFE), Northwestern Polytechnical University (NPU), 127 West Youyi Road, Xi’an 710072, China
Ruida Xu
State Key Laboratory of Flexible Electronics (SoFE) Shaanxi Institute of Flexible Electronics (SIFE) Institute of Flexible Electronics (IFE) Northwestern Polytechnical University (NPU) Xi'an 710072 China
Jingzhi Shang
State Key Laboratory of Flexible Electronics (SoFE) Shaanxi Institute of Flexible Electronics (SIFE) Institute of Flexible Electronics (IFE) Northwestern Polytechnical University (NPU) Xi'an 710072 China
Lin Song
Kai Wang
Wei Huang
Ruihao Chen
Yiyun Fang
Frontiers Science Center for Flexible Electronics (FSCFE), Shaanxi Institute of Flexible Electronics (SIFE) & Institute of Flexible Electronics (IFE), Northwestern Polytechnical University (NPU), 127 West Youyi Road, Xi’an 710072, China
Hongqiang Wang
Zi‐Qiang Rong
State Key Laboratory of Flexible Electronics (SoFE) Shaanxi Institute of Flexible Electronics (SIFE) Institute of Flexible Electronics (IFE) Northwestern Polytechnical University (NPU) Xi'an 710072 China