Perovskite solar cells (PSCs) have attracted extensive attention due to their high efficiency, nature of solution processing and low manufacturing cost. However, the presence of transport barriers and defect trap states at the interfaces and grain boundaries decreases their efficiency and stability and increases the hysteresis. Compared with graphene, graphdiyne involving sp hybridized carbons is featured with unique triangular microstructure, natural band gap, ultra-high carrier mobility and excellent photoelectric and mechanical properties, making it an important candidate as photoelectric materials for use in the photovoltaic devices. In this review, the structure and properties of graphdiyne and its derivatives were briefly reviewed, and the roles of graphdiyne and its derivatives in the electron and hole transport layers and light absorption layer of PSCs were summarized in detail. The role of graphdiyne and its derivatives in passivation of defects, improvement of film morphology and interface contact, and enhancement of carrier transport were mainly discussed. Finally, the future research on graphdiyne and its derivatives in the field of PSCs is presented.