In this study, anatase samples enclosed by the majority of three different crystal facets {0 0 1}, {1 0 0}, and {1 0 1} were successfully synthesized. These materials were further studied toward photocatalytic degradation of phenol and toluene as model organic pollutants in water and gas phases. The obtained results were analyzed concerning their surface structure, reaction type, and surface development. Moreover, the regression model was created to find the correlation between the possible predictors and the photodegradation rate constants (k). From the studied factors, the trapping energy of charge carriers at the surface was found to be the most significant one, exponentially affecting the observed k. This resulted in the overall per-surface activity between the samples being in the order {1 0 1} > {1 0 0} > {0 0 1}. Further introduction of the surface energy (Esurf) to the regression model and the number of possible trapping centers per number of pollutant’s molecules (ntrap·n–1) improved the model accuracy, simultaneously showing the dependence on the reaction type. In the case of phenol photocatalytic degradation, the best accuracy was observed for the model including Esurf ·(ntrap·n–1)1/2 relation, while for the toluene degradation, it included Esurf2 and the S·n–1 ratio, where S is the simple surface area. Concerning different surface features which influence photocatalytic performance and are commonly discussed in the literature, the results presented in this study suggest that trapping is of particular importance.publishe
