Hybrid nanomaterials consisting of functionalized fullerene and gold nanoparticle (NP) have been synthesized. Fullerene was functionalized by citric acid and used as reducing and capping agent for preparation of gold NPs. Functionalization of fullerene by use of citric acid was performed by enzymatic and thermal approaches. The core-shell structures containing gold NPs as core and fullerene as shell (gold/fullerene) were prepared. It was found that method and density of functionalization of fullerene effect final structure and therefore their physicochemical property of hybrid nanomaterial dramatically. Ultraviolet-visible (UV-Vis) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, dynamic light scattering (DLS), atomic force microscopy (AFM), transmission electron microscopy (TEM) were used to analyze the structure of the synthesized hybrid nanomaterial and also study their self-assembly and physicochemical properties. Effect of the size, structure and morphology (e.g., agglomeration) of the synthesized hybrid nanomaterial on their UV-Vis absorption behavior has been also verified by theoretical modeling.