fig4
Figure 4. Adsorption energy affected by combined ligand and coordination effects. (A) Different coordination environments are ranked in increasing order of total coordination number of nearest neighbors, as defined in the text. (B) Frequency distribution of OH* adsorption energy for each coordination environment (left), whose mean values are found to correlate linearly with the total coordination number of nearest neighbors (middle). The coordination types are ordered the same manner in (A) and (B) and the energy values are horizontally aligned in (B). Reproduced with permission[61]. Copyright 2020, Elsevier. MAE: mean absolute error;
