Multifunctional platforms will play a key role and gain more prominence in the field of personalized healthcare worldwide in the near future due to the ever-increasing number of patients suffering from cancer. Along with the development of efficient techniques for cancer treatment, a considerable effort should be devoted toward the exploration of an emerging class of materials with unique properties that might be beneficial in this context. Currently, 2D post-carbon materials, such as pnictogens (phosphorene, antimonene), transition metal dichalcogenides, and boron nitride, have become popular due to their efficient photothermal behavior, drug-loading capability, and low toxicity. This review underlines the recent progresses made in the abovementioned 2D materials for photothermal/photodynamic cancer therapies and their applicability in bioimaging applications.