The adsorption of pollutants to the surface of adsorbents plays a critical role in the effectiveness of adsorption technology for air purification applications. Herein, novel magnetic nanoparticles functionalized with 1,4diaminoanthraquinone (1,4-DAAQ), namely, Fe 3 O 4 /activated carbon (AC)@SiO 2 @ 1,4-DAAQ, were innovatively synthesized via co-precipitation and sol−gel techniques. After that, these nanoparticles were used for high-efficiency removal of volatile organic compounds (VOCs) (i.e., benzene and toluene). The synthesized nanoparticles were characterized by various techniques such as Fourier transform IR spectroscopy, thermogravimetric analysis/differential thermal analysis, scanning electron microscopy, and Brunauer−Emmett−Teller analysis. The dynamic adsorption process of VOCs was optimized based on operating parameters. The adsorption experiments revealed that Fe 3 O 4 /AC@SiO 2 @1,4-DAAQ showed exceptional performance for the removal of VOCs. It was observed that for benzene, Fe