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. 2020 Jun 10;120(16):8066–8129. doi: 10.1021/acs.chemrev.0c00004

Figure 39.

Figure 39

Partial dependence plots of ΔIPbond. The first plot reflects physical intuition that more polar bonds (larger ionization potential difference) have larger band gaps. Interactions between two features are shown in b and c. For example, we can observe that materials with higher density, ρ, and lower average ΔIPbond statistically have a larger band gap. Figure reprinted from Isayev et al.210