**Abstract**

In this study, the Raman and the surface-enhanced Raman scattering (SERS) spectra of TiO2 adsorbed on gold/graphene cluster is explained by density functional theory (DFT) calculations. we concentrated on the interaction between TiO2, Au, and graphene, in which graphene is presented as a substrate component in SERS. Results indicate that changing graphene type including pure graphene and B/N-doped graphene enables modifications of interaction between molecule, gold, and graphene cluster. The Raman and SERS spectra of compounds are compared considering the intensity of spectra, which demonstrate the intensity dependence on graphene type which is due to the effects of chemical and electromagnetic properties.

**Keywords:** TiO2, DFT, gold, graphene, SERS
