Azahomofullerenes as New n-Type Acceptor Materials for Efficient and Stable Inverted Planar Perovskite Solar Cells

Fullerene derivatives with a strong electron-accepting ability play a crucial role in enhancing both the performance and stability of perovskite solar cells (PSCs). However, most of the used fullerene molecules are based on [6,6]-phenyl-C₆₁-butyric acid methyl ester (PCBM), which limits the device performance due to difficulties in preparing high-quality and uniform thin films. Herein, solution-processable azahomofullerene (AHF) derivatives (abbreviated as AHF-1 and AHF-2) are reported as novel and effective electron-transport layers (ETLs) in p-i-n planar PSCs. Compared to the control PCBM ETL-based PSCs, the devices based on AHFs exhibit higher photovoltaic performances, which is attributed to the enhanced charge-transport properties and improved layer morphology leading to a maximum power conversion efficiency (PCE) of 20.21% in the case of the device based on AHF-2 ETL. Besides, due to the preferable energy band alignment with the perovskite layer, reduced trap states, and suppressed charge recombination, the device with AHF-2 ETL exhibits significantly suppressed hysteresis and improved stability under both ambient and thermal conditions.