2021/06/03 by Li‐Rong Wen, Yi Rao, Mingzhe Zhu +7 · 1 citation
Engineering · Materials Science · Chemistry · #Perovskite Materials and Applications #Conducting polymers and applications #Organic Light-Emitting Diodes Research #Perovskite (structure) #Doping #Materials science #Density functional theory #Intermolecular force #Hysteresis #Extraction (chemistry) #Chemical physics #Work function #Molecule #Nanotechnology #Optoelectronics #Layer (electronics) #Computational chemistry #Chemistry #Crystallography #Condensed matter physics #Physics #Organic chemistry
paper · doi:10.1002/anie.202102096
openalex publication_date 2021/06/03 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Abstract 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.