fig4
Figure 4. The relationship between the properties of the doped atom and the adsorption energy of Ead1: (A) radii of doped atoms, (B) d band center, and (C) the heat maps of various factors used in machine learning; (D) Comparison of calculated Ead1 by DFT and estimated Ead1 by ML. DFT: Density functional theory; ML: machine learning.
