Highly Efficient Perovskite Solar Cells Enabled by Multiple Ligand Passivation

Abstract In the past decade, the efficiency of perovskite solar cells quickly increased from 3.8% to 25.2%. The quality of perovskite films plays vital role in device performance. The films fabricated by solution‐process are usually polycrystalline, with significantly higher defect density than that of single crystal. One kind of defect in the films is uncoordinated Pb 2+ , which is usually generated during thermal annealing process due to the volatile organic component. Another detrimental kind of defect is Pb 0 , which is often observed during the film fabrication process or solar cell operation. Because the open circuit voltage has a close relation with the defect density, it is thus desirable to passivate these two kinds of defects. Here, a molecule with multiple ligands is introduced, which not only passivates the uncoordinated Pb 2+ defects, but also suppresses the formation of Pb 0 defects. Meanwhile, such a treatment improves the energy level alignment between the valence band of perovskite and the highest occupied molecular orbital of spiro‐OMeTAD. As a result, the performance of perovskite solar cells significantly increases from 19.0% to 21.4%.