Fig. 5: Theoretical study of the CO activation on a TiOx cluster decorated Ru(001) surface. | Nature Communications

Fig. 5: Theoretical study of the CO activation on a TiOx cluster decorated Ru(001) surface.

From: Tuning reactivity of Fischer–Tropsch synthesis by regulating TiOx overlayer over Ru/TiO2 nanocatalysts

Fig. 5

a Thermodynamic stability of different TiOx/Ru(001) and O/Ru(001) under a variation of the chemical potential of O as referring to TiO3/Ru(001) and Ru(001), respectively, with the atomic configuration in insets. Atom key: Ru (dark blue), O (red), Ti (orange), and C (green). b A possible catalytic mechanism of CO activation at GW level calculations on the TiO3/Ru(001) model surface (red line), with the dissociation of CO on Ru(001) surface as a comparison (blue line).

Back to article page