Referencing the DFT energies to the existing ATcT database through the reference species allows us to integrate the available accurate ∆ f H of gas-phase species, which always ensures thermodynamically consistent mechanism. By using the highly accurate ∆ f H of the gas-phase species from the ATcT instead of the DFT values, we implicitly correct all DFT-derived adsorption/desorption reaction energies except for those of the reference species (see Fig. ). The adsorption enthalpies of the references match the DFT energies (see SI). All reaction enthalpies of the surface reactions from DFT are still conserved and identical to those of the referencing approach. This method also reduces the computational workload, as it is no longer necessary to compute the energies of gas-phase species other than the references. Referencing Adsorption approach Exp. adsorption enthalpies Fig. Enthalpy diagram with the enthalpies of formation derived with the standard referencing approach, using the gas-phase ∆ f H as references, and using experimental enthalpies of formation of adsorbates as reference.