Figure 10.

The transferable ML models and the linear relationship between adsorption energies and intrinsic electronic descriptors of substrates and adsorbates. Transferability of ML models in predicting the adsorption energies of a) SAAs, b) ABs and c) HEAs with various adsorption sites, facets and adsorbates by training the data of TMs. Insets show the importance of the corresponding descriptors. The linear relationship between adsorption energies and αψ₀ on TMs, SAAs, ABs and HEAs d) with all the considered surfaces and all the adsorbates, e) with all the considered surfaces and the adsorbates C*, CH*, CO* and H*, and f) with the (211) surfaces and the adsorbates C*, CH*, CO* and H*. Reproduced with permission.^{[ 128 ]} Copyright 2022, The Royal Society of Chemistry.