Enhancing the Efficiency and Stability of Perovskite Solar Cells through Defect Passivation and Controlled Crystal Growth Using Allantoin

In this study, we present a robust approach that concurrently manages crystal growth and defect passivation within the perovskite layer through the introduction of a small molecule additive─allantoin. The precise regulation of crystal growth in the presence of allantoin yields perovskite films characterized by enhanced morphology, larger grain size, and improved grain orientation. Notably, the carbonyl and amino groups present in allantoin passivate under-coordinated Pb 2+ and I – defects, respectively, through molecular interactions. Trap density in the perovskite layer is measured, and it is 0.39 × 10 16 cm –3 for the allantoin-incorporated device and 0.83 × 10 16 cm –3 for the pristine device. This reduction in defects leads to reduced trap-assisted nonradiative recombination, as confirmed by the photoluminescence, transient photo voltage, and impedance measurements. As a result, when these allantoin-incorporated perovskite films are implemented as the active layer in solar cells, a noteworthy efficiency enhancement to 20.63% is attained, surpassing the 18.04% of their pristine counterparts. Furthermore, devices with allantoin exhibit remarkable operational stability, maintaining 80% of their efficiency even after 500 h of continuous illumination, whereas the pristine device degraded to 65% of its initial efficiency in 400 h. Also, allantoin-incorporated devices exhibited exceptional stability against high humidity and elevated temperatures.