In addition, Pedersen et al . previously demonstrated that there is a linear relationship between the adsorption energies of two similar adsorbates (e.g . O vs. OH, N vs. NH x , C vs. CH x and S vs. SH) on the same adsorption site on different surfaces. The adsorption energy is also linearly related to the free formation energies of intermediates and transition states . Based on the above characteristics, with descriptor-based microkinetic modeling, the adsorption energy can be used as a descriptor to predict the reactivity of the catalyst . The adsorption energy (E ad ) can be calculated using ab i ni t i o quantum chemical methods, such as density functional theory (DFT) . However, these methods are computationally expensive, making searching for potential candidates in a vast design space a daunting task .