“…Among these, materials are semiconductor oxides like TiO 2 or ZnO [33,34], specifically, TiO 2 is employed as an active support for trapping S-containing impurities [33][34][35][36][37][38][39][40][41]. Experimental work supported by density functional calculation, STM and synchrotron studies, among others, have shown that thiophene can be bond to TiO 2 via the aromatic ring, but also by the S-end atom [37][38][39][40][41]. Among all of these studies, and more related to our research work, is the interaction of thiophene with stoichiometric TiO 2 and defective TiO 2 À x rutile [38].…”