Bridging the intricate dynamics observed in the reaction network with broader applications in heterogeneous catalysis, the transition to CO 2 hydrogenation on metal surfaces exemplifies the shift from complex molecular interactions to the activation of small molecules. In this context, reaction paths tend to be considered simple, yet this oversimplified view is challenged even in one of the most appealing reactions. CO 2 hydrogenation on transition metal cat-alysts is the perfect example of an interesting heterogeneous reaction from both academic and industry points of view, as CO 2 is recycled into addedvalue precursors and products such as CO via the reverse water gas shift (RWGS) reaction , methanol [24, , and methane as side product , Eq. 1-3. However, even if the number of atoms involved in the potential products is small, the reaction networks include multiple competing pathways, and different kinds of equilibria . Thus, the visualization and posterior analysis of the energy reaction profiles is extremely complex . Consequently, in the reactors, the three equations below take place simultaneously and the extent of each of them depends on the catalyst and operation conditions.