In the present era, water scarcity and water pollution by metal ions, dyes, industry wastewater, and natural squanders are serious environmental concerns. Dangerous pollutants such as metal ions (Cr, Hg, As, Pb, Ur, and so on), pharmaceuticals, and dyes endanger humans, amphibians, plants, and other organisms on the planet. There are various technologies that are implemented in wastewater purification. Among all current technologies, the use of nanotechnology in drinking water filtration is a promising subject for practical research. Nanoparticle development has the potential to enhance uptake efficiency and sustainability, as well as economic effectiveness, technological incorporation, and environmental friendliness. Nanoparticle development has the potential to boost uptake efficiency and sustainability, as well as economic effectiveness, technological inclusion, and environmental friendliness. This chapter investigates the fabrication, efficiency, and removal capacity of nanoparticles in depth. A portion of this chapter is devoted to the development of an optimal nanoparticle profile that combines the specific capabilities of each heavy metal ion in terms of chemical affinity, interactions owing to the presence of charges, redox reactions, and on exchange methods. Importantly, focus on capturing and designing of optimal systems for removing heavy metals and other water contaminants, adhering to drinking water regulations with concentrations below 100 mg/L.