Emerging Contaminants (ECs), such as pesticides, steroid hormones, antibiotics growth accelerators, and inhibitors of pathogenic microorganisms, among others, have become an increasingly severe and worrying problem to ecosystems and human health, including the contamination of water bodies. Therefore, it is imperative to seek ways to measure and evaluate the current conditions of various environmental matrices so that urgent strategies can be planned and designed to mitigate the spread of these contaminants. Ofloxacin, a widely prescribed antibiotic, is resistant to biological degradation and promotes bacteria resistance, being considered environmentally maleficent. In this sense, this work arises to theoretically study the adsorption of ofloxacin (OFL) on two surfaces (zinc stannate (Zn2SnO4) and reduced graphene oxide (rGO)), considering that OFL is classified as a toxic organic EC and, therefore, it is imperative to develop analytical methodologies for their removal. Furthermore, all theoretical calculations were carried out in the CASTEP software using Density Functional Theory (DFT) and the GGA functional, obtaining results for adsorption energy, band structure and Total Density of States (TDOS). The results showed that adsorption occurs more effectively with Zn2SnO4 (1 0 0), with an adsorption energy of -21.03 eV, compared to -1.90 eV in the rGO surface (1 0 0), and that the metallic character of this compound did not change after OFL adsorption. However, the OFL-Zn2SnO4 complex had more states to be occupied. Furthermore, it was observed that the OFL-rGO complex presented a greater semiconductor character.