“…For example, guaiacol HDO on Pt/Al 2 O 3 has been suggested to proceed via the intermediates catechol and phenol [12], but the atomic-level processes occurring at the catalyst surface remain unclear. Other reactions involving aromatics, e.g., their dehydrogenation [23][24][25][26] or the conversion of benzene to phenol, have been explored computationally for surfaces of Rh, Ni, Pd, Pt, and Cu. The adsorption of aromatic oxygenates, such as phenol, anisole, cresol, or the more complex 1,3,5-trihydroxybenzene, have been the subject of computational studies on pure Rh [25], Ni [27], Pd [3], and Pt [25,[28][29][30] surfaces, as well as on surfaces of alloys such as FePd [3] or CuNi [30].…”