Molecular Dipole Engineering of Carbonyl Additives for Efficient and Stable Perovskite Solar Cells

Abstract Carbonyl functional materials as additives are extensively applied to reduce the defects density of the perovskite film. However, there is still a lack of comprehensive understanding for the effect of carbonyl additives to improve device performance. In this work, we systematically study the effect of carbonyl additive molecules on the passivation of defects in perovskite films. After a comprehensive investigation, the results confirm the importance of molecular dipole in amplifying the passivation effect of additive molecules. The additive with strong molecular dipole possesses the advantages of enhancing the efficiency and stability of perovskite solar cells (PSCs). After optimization, the companion efficiency of PSCs is 23.20 %, and it can maintain long‐term stability under harsh conditions. Additionally, a large‐area solar cell module‐modified DLBA was 20.18 % (14 cm 2 ). This work provides an important reference for the selection and designing of efficient carbonyl additives.