In Eq. 6, the coefficients are denoted c C2H4 i (T oven ) to highlight that they correspond to different fitted values for the two different T oven (see ESI for details). Firstly, we note that the model expression contains the key parameter t OS , required to describe the ethylene selectivity time dependency. Additionally, the following materialsdependent theoretical key parameters appear in Eq. 6: work-function shift with hydrogen adsorption (∆W surf H ), d-band center (ϵ d ), binding energy of hydrogen (E surf b,H ), deformation energy of subsurface carbon (E sub d,C ), and binding energy of subsurface hydrogen (E sub b,H ). Finally, the total metal loading (w metal ) and mean value of particle size (D µ ), measured prior to the catalytic test, are also identified as key experimental parameters. The relevance of the microscopic parameters