This chaper demonstrates an outline of the significance of nanomaterials (NMs) in the phytoremediation of heavy metals and metalloids. The paper also highlights the different types of nanoparticles (NPs), their synthesis methods, and characterization techniques. The aim of this review is to provide information about NMs’ interaction with plant systems as well as some potential NPs used in the phytoremediation process. NMs have different surface structures and functions as nano-adsorbents, and their polymer-blended products are employed for the elimination of hazardous gases and adulterants (arsenic, manganese, nitrate, iron, and other heavy metals), organic entities (both aliphatic and aromatic), and biotic entities, including viruses, bacteria, and vermin. NMs possess properties like high surface area and associated high reactivity, which alleviate their performance in environmental restoration compared to other traditional techniques. Furthermore, the implementation of NMs in the monitoring of pollutants and accomplishments of nanostructured polymers in treating adulterants are also discussed, which provide a general idea to the future researchers. Besides these, the list of plant species and obtained NPs along with their utilization in the removal of different contaminants as well as their role in future research areas of nano-phytoremediation systems and prospects are briefly discussed in this paper.