Transition metal dichalcogenides (TMDCs) have attracted momentous scientific attention because of their intriguing properties, such as high optical transparency, high charge mobility, self-passivating surfaces, adjustable bandgap values, and work function and chemical stability. These TMDC materials have been incorporated into third-generation perovskite solar cell (PSC) devices to boost their solar harvesting and conversion performance. Herein, we provide an overview of the dominant PSC configurations and various modifications that have been carried out on TMDCs that are geared toward the enhancement of the performance of the PSC devices. The integration of TMDCs and their effects on various parts of the PSC devices have been pointed out. Furthermore, the utilization of computational tools in the deep understanding of the TMDC materials and PSC devices has been elucidated. Finally, the challenges and prospects of integrating TMDC materials in the PSC devices have been discussed.