The effect of rutile TiO2(110) surface on the physicochemical properties of subnanometer Au–Pd clusters: A DFT study

O2 activation by subnanometer Re–Pt clusters supported on TiO2(110): exploring adsorption sites

“…Comparing the values of E ads or E adh for Re 5 and Pt 5 (which both share the same geometric arrangement) it is clear that the intrinsic strength of O–Re bonds is approximately twice as large as the one of O–Pt bonds. The cluster–surface interaction energies for other five atom clusters supported on TiO 2 (110) reported in the literature are 4.50, 4.53, 5.37, and 6.87 eV for the Cu 5 , 38 Ag 5 , 42 Au 5 , 66 and Pd 5 66 clusters, respectively. Thus, Re n Pt m ( n + m = 5) clusters exhibit a higher affinity for the TiO 2 (110) surface compared to other clusters of the same size that have been previously reported.…”