Electron‐Donating Multifunctional Molecules: A Strategy for High‐Performance Perovskite Solar Cells

ABSTRACT

Multifunctional molecules containing electron‐donating groups are critically important in perovskite solar cells (PSCs), including defect passivation, crystallization modulation, energy level alignment, and other functions. This review systematically examines the application and research progress of such multifunctional molecules in PSCs. Initially, we have surveyed multifunctional molecules with electron‐donating capabilities and their core functional groups. Subsequently, the specific functions of these multifunctional molecules are analyzed separately in charge transport layers and perovskite layers. Within transport layers, some molecules simultaneously suppress nickel oxidation in the nickel oxide layer and optimize energy level alignment between transport layers and perovskite layers. In perovskite active layers, these molecules facilitate improved film quality, regulated crystallization kinetics, and effectively passivated positively charged defects (e.g., iodine vacancies) as well as negatively charged defects (e.g., lead vacancies). Moving beyond functional roles, the final section outlines challenges and future directions for the practical application of these molecules in advancing perovskite photovoltaics.