Organochlorine pesticides (OCPs; aldrin, chlordane, DDT, dieldrin, endrin, heptachlor, mirex, toxaphene and hexachlorocyclohexane) are chemical pollutants found in all environmental media. There is an urgent need to stop the usage and develop innovative strategies for the remediation of contaminated soil and water. The present work was aimed to evaluate the (i) interaction of fullerene with lindane and its role in the remediation of lindane from contaminated systems and (ii) compare the interaction of fullerene with lindane and trichloroethylene. Strong molecule-surface bonding of fullerene-lindane complex than fullerene-TCE complex indicates that fullerene can be used as a potential nanoparticle for remediation of lindane. However, toxicity and fate of nanoparticles is under investigation and more studies are needed before utilization of fullerene and other nanoparticles for phytoremediation.